(3R)-4-amino-N,3-dimethylbutane-1-sulfonamide

C6H16N2O2S — CID 140518495

IUPAC(3R)-4-amino-N,3-dimethylbutane-1-sulfonamide
SMILESCNS(=O)(=O)CC[C@@H](C)CN
InChIInChI=1S/C6H16N2O2S/c1-6(5-7)3-4-11(9,10)8-2/h6,8H,3-5,7H2,1-2H3/t6-/m1/s1
InChIKeyHFTJBZXLRMZUOP-ZCFIWIBFSA-N
MW180.27 g/mol
LogP-0.48
Rot. Bonds5

About (3R)-4-amino-N,3-dimethylbutane-1-sulfonamide

(3R)-4-amino-N,3-dimethylbutane-1-sulfonamide (PubChem CID 140518495) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is (3R)-4-amino-N,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound Name(3R)-4-amino-N,3-dimethylbutane-1-sulfonamide
PubChem CID140518495
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC Name(3R)-4-amino-N,3-dimethylbutane-1-sulfonamide
SMILESCNS(=O)(=O)CC[C@@H](C)CN
InChIInChI=1S/C6H16N2O2S/c1-6(5-7)3-4-11(9,10)8-2/h6,8H,3-5,7H2,1-2H3/t6-/m1/s1
InChIKeyHFTJBZXLRMZUOP-ZCFIWIBFSA-N
XLogP-0.48
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-methylbutane-1-sulfonamide
CID 61456555
N-[4-(propylsulfonylamino)butyl]propane-1-sulfonamide
CID 44434515
N-[4-(butylsulfonylamino)butyl]butane-1-sulfonamide
CID 44434527
n-butyl-N-n-propylsulfonamide
CID 19681138
2-Amino-N-butylethanesulfonamide
CID 21458645
N-[4-(ethylsulfonylamino)butyl]ethanesulfonamide
CID 3609865
2-amino-N-(cyclobutylmethyl)ethane-1-sulfonamide
CID 43298721
N-(3-aminopropyl)-2-methylbutane-1-sulfonamide
CID 91659838
3-amino-N-methylpropane-1-sulfonamide
CID 58684975
N-Butyl-1-butanesulfonamide
CID 305460
N-(4-amino-2-methylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059739
4-Amino-3-methylbutane-1-sulfonyl fluoride
CID 165565814

Frequently Asked Questions

What is the IUPAC name of (3R)-4-amino-N,3-dimethylbutane-1-sulfonamide?
The IUPAC name of (3R)-4-amino-N,3-dimethylbutane-1-sulfonamide (CID 140518495) is (3R)-4-amino-N,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for (3R)-4-amino-N,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for (3R)-4-amino-N,3-dimethylbutane-1-sulfonamide is CNS(=O)(=O)CC[C@@H](C)CN.
What is the InChIKey of (3R)-4-amino-N,3-dimethylbutane-1-sulfonamide?
The InChIKey is HFTJBZXLRMZUOP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-6(5-7)3-4-11(9,10)8-2/h6,8H,3-5,7H2,1-2H3/t6-/m1/s1.
What are the key properties of (3R)-4-amino-N,3-dimethylbutane-1-sulfonamide?
(3R)-4-amino-N,3-dimethylbutane-1-sulfonamide has a molecular weight of 180.27 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-amino-N,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 140518495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).