N-(1-methylpyrrolidin-3-yl)-1-piperidin-4-ylmethanesulfonamide

C11H23N3O2S — CID 54972503

IUPACN-(1-methylpyrrolidin-3-yl)-1-piperidin-4-ylmethanesulfonamide
SMILESCN1CCC(NS(=O)(=O)CC2CCNCC2)C1
InChIInChI=1S/C11H23N3O2S/c1-14-7-4-11(8-14)13-17(15,16)9-10-2-5-12-6-3-10/h10-13H,2-9H2,1H3
InChIKeyQJWYZQQBORNCGP-UHFFFAOYSA-N
MW261.39 g/mol
LogP-0.39
Rot. Bonds4

About N-(1-methylpyrrolidin-3-yl)-1-piperidin-4-ylmethanesulfonamide

N-(1-methylpyrrolidin-3-yl)-1-piperidin-4-ylmethanesulfonamide (PubChem CID 54972503) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-3-yl)-1-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-3-yl)-1-piperidin-4-ylmethanesulfonamide
PubChem CID54972503
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC NameN-(1-methylpyrrolidin-3-yl)-1-piperidin-4-ylmethanesulfonamide
SMILESCN1CCC(NS(=O)(=O)CC2CCNCC2)C1
InChIInChI=1S/C11H23N3O2S/c1-14-7-4-11(8-14)13-17(15,16)9-10-2-5-12-6-3-10/h10-13H,2-9H2,1H3
InChIKeyQJWYZQQBORNCGP-UHFFFAOYSA-N
XLogP-0.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrolidin-3-yl)-1-piperidin-4-ylmethanesulfonamide?
The IUPAC name of N-(1-methylpyrrolidin-3-yl)-1-piperidin-4-ylmethanesulfonamide (CID 54972503) is N-(1-methylpyrrolidin-3-yl)-1-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for N-(1-methylpyrrolidin-3-yl)-1-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for N-(1-methylpyrrolidin-3-yl)-1-piperidin-4-ylmethanesulfonamide is CN1CCC(NS(=O)(=O)CC2CCNCC2)C1.
What is the InChIKey of N-(1-methylpyrrolidin-3-yl)-1-piperidin-4-ylmethanesulfonamide?
The InChIKey is QJWYZQQBORNCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-14-7-4-11(8-14)13-17(15,16)9-10-2-5-12-6-3-10/h10-13H,2-9H2,1H3.
What are the key properties of N-(1-methylpyrrolidin-3-yl)-1-piperidin-4-ylmethanesulfonamide?
N-(1-methylpyrrolidin-3-yl)-1-piperidin-4-ylmethanesulfonamide has a molecular weight of 261.39 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolidin-3-yl)-1-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 54972503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).