N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-sulfonamide

C13H27N3O2S — CID 55141917

IUPACN-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-sulfonamide
SMILESCC(CNS(=O)(=O)C1CCCNC1)CN1CCCC1
InChIInChI=1S/C13H27N3O2S/c1-12(11-16-7-2-3-8-16)9-15-19(17,18)13-5-4-6-14-10-13/h12-15H,2-11H2,1H3
InChIKeyBKCVXNANTKALAG-UHFFFAOYSA-N
MW289.44 g/mol
LogP0.39
Rot. Bonds6

About N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-sulfonamide

N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-sulfonamide (PubChem CID 55141917) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-sulfonamide
PubChem CID55141917
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-sulfonamide
SMILESCC(CNS(=O)(=O)C1CCCNC1)CN1CCCC1
InChIInChI=1S/C13H27N3O2S/c1-12(11-16-7-2-3-8-16)9-15-19(17,18)13-5-4-6-14-10-13/h12-15H,2-11H2,1H3
InChIKeyBKCVXNANTKALAG-UHFFFAOYSA-N
XLogP0.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(3-methylbutyl)piperidine-3-sulfonamide
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N-(2-phenylpropyl)piperidine-3-sulfonamide
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N-(1-pyrrolidin-1-ylpropan-2-yl)piperidine-3-carboxamide
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N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
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N-(7-methyloctyl)piperidine-3-sulfonamide
CID 107816777
N-(2-methyl-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide
CID 61384303
N-[2-(dimethylamino)ethyl]piperidine-3-sulfonamide
CID 24699413
N-[2-[butan-2-yl(methyl)amino]ethyl]piperidine-3-sulfonamide
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1-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)methanesulfonamide
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CID 110462388

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-sulfonamide?
The IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-sulfonamide (CID 55141917) is N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-sulfonamide.
What is the SMILES notation for N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-sulfonamide?
The canonical SMILES for N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-sulfonamide is CC(CNS(=O)(=O)C1CCCNC1)CN1CCCC1.
What is the InChIKey of N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-sulfonamide?
The InChIKey is BKCVXNANTKALAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-12(11-16-7-2-3-8-16)9-15-19(17,18)13-5-4-6-14-10-13/h12-15H,2-11H2,1H3.
What are the key properties of N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-sulfonamide?
N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-sulfonamide has a molecular weight of 289.44 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-sulfonamide is sourced from PubChem (CID 55141917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).