N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride

C7H17ClN2O2S — CID 50988223

IUPACN-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride
SMILESCCCS(=O)(=O)NC1CCNC1.Cl
InChIInChI=1S/C7H16N2O2S.ClH/c1-2-5-12(10,11)9-7-3-4-8-6-7;/h7-9H,2-6H2,1H3;1H
InChIKeyQIQSUQJZMACKPG-UHFFFAOYSA-N
MW228.74 g/mol
LogP0.10
Rot. Bonds4

About N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride

N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride (PubChem CID 50988223) has the molecular formula C7H17ClN2O2S and a molecular weight of 228.74 g/mol. Its IUPAC name is N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride
PubChem CID50988223
Molecular FormulaC7H17ClN2O2S
Molecular Weight228.74 g/mol
Exact Mass228.07
IUPAC NameN-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride
SMILESCCCS(=O)(=O)NC1CCNC1.Cl
InChIInChI=1S/C7H16N2O2S.ClH/c1-2-5-12(10,11)9-7-3-4-8-6-7;/h7-9H,2-6H2,1H3;1H
InChIKeyQIQSUQJZMACKPG-UHFFFAOYSA-N
XLogP0.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.74
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide
CID 79684935
3,3-dimethyl-N-pyrrolidin-3-ylbutane-1-sulfonamide
CID 103828888
methyl 3-[[(3S)-pyrrolidin-3-yl]sulfamoyl]propanoate
CID 79684956
N-[(3S)-piperidin-3-yl]ethanesulfonamide;hydrochloride
CID 53256488
propane;N-pyrrolidin-3-ylmethanesulfonamide
CID 143474568
2-piperidin-2-yl-N-pyrrolidin-3-ylethanesulfonamide
CID 115048876
2-ethoxy-N-piperidin-4-ylethanesulfonamide;hydrochloride
CID 119960526
2-methoxy-N-[(3R)-piperidin-3-yl]ethanesulfonamide
CID 104645644
N-[(3R)-piperidin-3-yl]but-3-ene-1-sulfonamide;hydrochloride
CID 120723752
(3R)-3-(dimethylsulfamoylamino)pyrrolidine
CID 79685211
ethane;molecular hydrogen;N-piperidin-4-ylethanesulfonamide
CID 144690216
1-cyclopropyl-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride
CID 120716613

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride?
The IUPAC name of N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride (CID 50988223) is N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride is CCCS(=O)(=O)NC1CCNC1.Cl.
What is the InChIKey of N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride?
The InChIKey is QIQSUQJZMACKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S.ClH/c1-2-5-12(10,11)9-7-3-4-8-6-7;/h7-9H,2-6H2,1H3;1H.
What are the key properties of N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride?
N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride has a molecular weight of 228.74 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 50988223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).