2-pyrrolidin-3-ylpropane-2-sulfonamide;hydrochloride

C7H17ClN2O2S — CID 155026235

IUPAC2-pyrrolidin-3-ylpropane-2-sulfonamide;hydrochloride
SMILESCC(C)(C1CCNC1)S(N)(=O)=O.Cl
InChIInChI=1S/C7H16N2O2S.ClH/c1-7(2,12(8,10)11)6-3-4-9-5-6;/h6,9H,3-5H2,1-2H3,(H2,8,10,11);1H
InChIKeySNQRHRQOSYFUFQ-UHFFFAOYSA-N
MW228.74 g/mol
LogP0.08
Rot. Bonds2

About 2-pyrrolidin-3-ylpropane-2-sulfonamide;hydrochloride

2-pyrrolidin-3-ylpropane-2-sulfonamide;hydrochloride (PubChem CID 155026235) has the molecular formula C7H17ClN2O2S and a molecular weight of 228.74 g/mol. Its IUPAC name is 2-pyrrolidin-3-ylpropane-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-3-ylpropane-2-sulfonamide;hydrochloride
PubChem CID155026235
Molecular FormulaC7H17ClN2O2S
Molecular Weight228.74 g/mol
Exact Mass228.07
IUPAC Name2-pyrrolidin-3-ylpropane-2-sulfonamide;hydrochloride
SMILESCC(C)(C1CCNC1)S(N)(=O)=O.Cl
InChIInChI=1S/C7H16N2O2S.ClH/c1-7(2,12(8,10)11)6-3-4-9-5-6;/h6,9H,3-5H2,1-2H3,(H2,8,10,11);1H
InChIKeySNQRHRQOSYFUFQ-UHFFFAOYSA-N
XLogP0.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.74
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-4-yl)propane-2-sulfonamide
CID 70819579
2-methyl-2-pyrrolidin-3-ylpropanamide;hydrochloride
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(3R)-3-(1,1-difluoroethyl)pyrrolidine
CID 154810011
2-[(3S)-pyrrolidin-3-yl]propan-2-ol;sulfane
CID 160675736
2-methyl-2-pyrrolidin-3-ylpropanoic acid
CID 82652022
2-methyl-2-piperidin-4-ylpropane-1-sulfonyl fluoride
CID 115034076
4-amino-3,3-dimethyl-2-pyrrolidin-3-ylbutan-2-ol
CID 127016501
2-pyrrolidin-3-ylbutan-2-ol
CID 105428542
3-(1,1-difluoro-2-methylpropyl)pyrrolidine;hydrochloride
CID 115058424
3-fluoro-N-methyl-3-pyrrolidin-3-ylbutan-1-amine
CID 105435897
3-(1,1-difluoro-3,3-dimethylbutyl)pyrrolidine
CID 115058342
3-(2-fluorobut-3-yn-2-yl)pyrrolidine
CID 127016517

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-ylpropane-2-sulfonamide;hydrochloride?
The IUPAC name of 2-pyrrolidin-3-ylpropane-2-sulfonamide;hydrochloride (CID 155026235) is 2-pyrrolidin-3-ylpropane-2-sulfonamide;hydrochloride.
What is the SMILES notation for 2-pyrrolidin-3-ylpropane-2-sulfonamide;hydrochloride?
The canonical SMILES for 2-pyrrolidin-3-ylpropane-2-sulfonamide;hydrochloride is CC(C)(C1CCNC1)S(N)(=O)=O.Cl.
What is the InChIKey of 2-pyrrolidin-3-ylpropane-2-sulfonamide;hydrochloride?
The InChIKey is SNQRHRQOSYFUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S.ClH/c1-7(2,12(8,10)11)6-3-4-9-5-6;/h6,9H,3-5H2,1-2H3,(H2,8,10,11);1H.
What are the key properties of 2-pyrrolidin-3-ylpropane-2-sulfonamide;hydrochloride?
2-pyrrolidin-3-ylpropane-2-sulfonamide;hydrochloride has a molecular weight of 228.74 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-ylpropane-2-sulfonamide;hydrochloride is sourced from PubChem (CID 155026235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).