N-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide

C12H24N2O3S — CID 65112740

IUPACN-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NCC2(O)CCCC2)C1
InChIInChI=1S/C12H24N2O3S/c1-11-5-4-8-14(9-11)18(16,17)13-10-12(15)6-2-3-7-12/h11,13,15H,2-10H2,1H3
InChIKeyNQHOGLYYJLHHKG-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.86
Rot. Bonds4

About N-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide

N-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide (PubChem CID 65112740) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide
PubChem CID65112740
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NCC2(O)CCCC2)C1
InChIInChI=1S/C12H24N2O3S/c1-11-5-4-8-14(9-11)18(16,17)13-10-12(15)6-2-3-7-12/h11,13,15H,2-10H2,1H3
InChIKeyNQHOGLYYJLHHKG-UHFFFAOYSA-N
XLogP0.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide (CID 65112740) is N-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)NCC2(O)CCCC2)C1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide?
The InChIKey is NQHOGLYYJLHHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-11-5-4-8-14(9-11)18(16,17)13-10-12(15)6-2-3-7-12/h11,13,15H,2-10H2,1H3.
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide?
N-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide has a molecular weight of 276.40 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 65112740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).