1-amino-2-methylpropane-2-sulfonamide;hydrochloride

C4H13ClN2O2S — CID 172706020

IUPAC1-amino-2-methylpropane-2-sulfonamide;hydrochloride
SMILESCC(C)(CN)S(N)(=O)=O.Cl
InChIInChI=1S/C4H12N2O2S.ClH/c1-4(2,3-5)9(6,7)8;/h3,5H2,1-2H3,(H2,6,7,8);1H
InChIKeyDPEUNVVLZFDMIY-UHFFFAOYSA-N
MW188.68 g/mol
LogP-0.57
Rot. Bonds2

About 1-amino-2-methylpropane-2-sulfonamide;hydrochloride

1-amino-2-methylpropane-2-sulfonamide;hydrochloride (PubChem CID 172706020) has the molecular formula C4H13ClN2O2S and a molecular weight of 188.68 g/mol. Its IUPAC name is 1-amino-2-methylpropane-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-amino-2-methylpropane-2-sulfonamide;hydrochloride
PubChem CID172706020
Molecular FormulaC4H13ClN2O2S
Molecular Weight188.68 g/mol
Exact Mass188.04
IUPAC Name1-amino-2-methylpropane-2-sulfonamide;hydrochloride
SMILESCC(C)(CN)S(N)(=O)=O.Cl
InChIInChI=1S/C4H12N2O2S.ClH/c1-4(2,3-5)9(6,7)8;/h3,5H2,1-2H3,(H2,6,7,8);1H
InChIKeyDPEUNVVLZFDMIY-UHFFFAOYSA-N
XLogP-0.57
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Aminopropane-2-sulfonamide hydrochloride
CID 71432993
2-Methanesulfonyl-2-methylpropan-1-amine hydrochloride
CID 71755401
3-amino-N-methylpropane-1-sulfonamide hydrochloride
CID 86628390
3-Amino-2,2-dimethylpropane-1-sulfonamide
CID 87766169
1-(Aminomethyl)cyclopropane-1-sulfonamide hydrochloride
CID 126841175
(S)-1-Amino-N-methylpropane-2-sulfonamide hydrochloride
CID 165652573
(R)-1-Amino-N-methylpropane-2-sulfonamide hydrochloride
CID 165652880
N,2-Dimethyl-2-propanesulfonamide
CID 21703065
3-amino-N-methylpropane-1-sulfonamide
CID 58684975
N-(2-fluoroethyl)-2-methylpropane-2-sulfonamide
CID 118423494
1-(Aminomethyl)cyclopropane-1-sulfonamide
CID 126841176
4,4-Dimethyl-1,2-thiazetidine 1,1-dioxide
CID 14786059

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methylpropane-2-sulfonamide;hydrochloride?
The IUPAC name of 1-amino-2-methylpropane-2-sulfonamide;hydrochloride (CID 172706020) is 1-amino-2-methylpropane-2-sulfonamide;hydrochloride.
What is the SMILES notation for 1-amino-2-methylpropane-2-sulfonamide;hydrochloride?
The canonical SMILES for 1-amino-2-methylpropane-2-sulfonamide;hydrochloride is CC(C)(CN)S(N)(=O)=O.Cl.
What is the InChIKey of 1-amino-2-methylpropane-2-sulfonamide;hydrochloride?
The InChIKey is DPEUNVVLZFDMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2S.ClH/c1-4(2,3-5)9(6,7)8;/h3,5H2,1-2H3,(H2,6,7,8);1H.
What are the key properties of 1-amino-2-methylpropane-2-sulfonamide;hydrochloride?
1-amino-2-methylpropane-2-sulfonamide;hydrochloride has a molecular weight of 188.68 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methylpropane-2-sulfonamide;hydrochloride is sourced from PubChem (CID 172706020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).