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140171-14-8 | Butanamide, 2-amino-4-(methylsulfonyl)-, (2S)-
CAS No: 140171-14-8 Catalog No: AG001C39 MDL No:
Product Description
Catalog Number:
AG001C39
Chemical Name:
Butanamide, 2-amino-4-(methylsulfonyl)-, (2S)-
CAS Number:
140171-14-8
Molecular Formula:
C5H12N2O3S
Molecular Weight:
180.2254
IUPAC Name:
(2S)-2-amino-4-methylsulfonylbutanamide
InChI:
InChI=1S/C5H12N2O3S/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H2,7,8)/t4-/m0/s1
InChI Key:
JUWCLOJXCNBAJZ-BYPYZUCNSA-N
SMILES:
NC(=O)[C@H](CCS(=O)(=O)C)N
UNII:
0O58LJI3XN
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
180.057g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.222g/mol
Monoisotopic Mass:
180.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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