(2S)-1-amino-3-methylbutane-2-sulfonamide;hydrochloride

C5H15ClN2O2S — CID 170166483

IUPAC(2S)-1-amino-3-methylbutane-2-sulfonamide;hydrochloride
SMILESCC(C)[C@@H](CN)S(N)(=O)=O.Cl
InChIInChI=1S/C5H14N2O2S.ClH/c1-4(2)5(3-6)10(7,8)9;/h4-5H,3,6H2,1-2H3,(H2,7,8,9);1H/t5-;/m1./s1
InChIKeyTUDHMALZZPXRPV-NUBCRITNSA-N
MW202.71 g/mol
LogP-0.32
Rot. Bonds3

About (2S)-1-amino-3-methylbutane-2-sulfonamide;hydrochloride

(2S)-1-amino-3-methylbutane-2-sulfonamide;hydrochloride (PubChem CID 170166483) has the molecular formula C5H15ClN2O2S and a molecular weight of 202.71 g/mol. Its IUPAC name is (2S)-1-amino-3-methylbutane-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name(2S)-1-amino-3-methylbutane-2-sulfonamide;hydrochloride
PubChem CID170166483
Molecular FormulaC5H15ClN2O2S
Molecular Weight202.71 g/mol
Exact Mass202.05
IUPAC Name(2S)-1-amino-3-methylbutane-2-sulfonamide;hydrochloride
SMILESCC(C)[C@@H](CN)S(N)(=O)=O.Cl
InChIInChI=1S/C5H14N2O2S.ClH/c1-4(2)5(3-6)10(7,8)9;/h4-5H,3,6H2,1-2H3,(H2,7,8,9);1H/t5-;/m1./s1
InChIKeyTUDHMALZZPXRPV-NUBCRITNSA-N
XLogP-0.32
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-methylbutane-1-sulfonamide
CID 61456555
1-Aminopropane-2-sulfonamide hydrochloride
CID 71432993
3-amino-N-methylpropane-1-sulfonamide hydrochloride
CID 86628390
4-Aminobutane-1-sulfonamide hydrochloride
CID 119032131
(S)-1-Amino-N-methylpropane-2-sulfonamide hydrochloride
CID 165652573
(R)-1-Amino-N-methylpropane-2-sulfonamide hydrochloride
CID 165652880
[1-(Aminomethyl)cyclopropyl]methanesulfonamide hydrochloride
CID 170918629
2-Amino-N-butylethanesulfonamide
CID 21458645
N-(3-aminopropyl)-2-methylbutane-1-sulfonamide
CID 91659838
3-amino-N-methylpropane-1-sulfonamide
CID 58684975
4-Amino-3-methylbutane-1-sulfonyl fluoride
CID 165565814
2-(Aminomethyl)-3-methylbutane-1-sulfonyl fluoride
CID 165723761

Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-3-methylbutane-2-sulfonamide;hydrochloride?
The IUPAC name of (2S)-1-amino-3-methylbutane-2-sulfonamide;hydrochloride (CID 170166483) is (2S)-1-amino-3-methylbutane-2-sulfonamide;hydrochloride.
What is the SMILES notation for (2S)-1-amino-3-methylbutane-2-sulfonamide;hydrochloride?
The canonical SMILES for (2S)-1-amino-3-methylbutane-2-sulfonamide;hydrochloride is CC(C)[C@@H](CN)S(N)(=O)=O.Cl.
What is the InChIKey of (2S)-1-amino-3-methylbutane-2-sulfonamide;hydrochloride?
The InChIKey is TUDHMALZZPXRPV-NUBCRITNSA-N. The full InChI is InChI=1S/C5H14N2O2S.ClH/c1-4(2)5(3-6)10(7,8)9;/h4-5H,3,6H2,1-2H3,(H2,7,8,9);1H/t5-;/m1./s1.
What are the key properties of (2S)-1-amino-3-methylbutane-2-sulfonamide;hydrochloride?
(2S)-1-amino-3-methylbutane-2-sulfonamide;hydrochloride has a molecular weight of 202.71 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-3-methylbutane-2-sulfonamide;hydrochloride is sourced from PubChem (CID 170166483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).