N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide

C8H18N2O2S — CID 23563421

IUPACN-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCN(C)C1
InChIInChI=1S/C8H18N2O2S/c1-7(2)13(11,12)9-8-4-5-10(3)6-8/h7-9H,4-6H2,1-3H3
InChIKeyJLHUIWKKMXHLJO-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.02
Rot. Bonds3

About N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide

N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide (PubChem CID 23563421) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide
PubChem CID23563421
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC NameN-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCN(C)C1
InChIInChI=1S/C8H18N2O2S/c1-7(2)13(11,12)9-8-4-5-10(3)6-8/h7-9H,4-6H2,1-3H3
InChIKeyJLHUIWKKMXHLJO-UHFFFAOYSA-N
XLogP0.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide?
The IUPAC name of N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide (CID 23563421) is N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide?
The canonical SMILES for N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCN(C)C1.
What is the InChIKey of N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide?
The InChIKey is JLHUIWKKMXHLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-7(2)13(11,12)9-8-4-5-10(3)6-8/h7-9H,4-6H2,1-3H3.
What are the key properties of N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide?
N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide has a molecular weight of 206.31 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolidin-3-yl)propane-2-sulfonamide is sourced from PubChem (CID 23563421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).