1-cyclopentyl-N-[(3-methylpiperidin-3-yl)methyl]methanesulfonamide;hydrochloride

C13H27ClN2O2S — CID 120876267

IUPAC1-cyclopentyl-N-[(3-methylpiperidin-3-yl)methyl]methanesulfonamide;hydrochloride
SMILESCC1(CNS(=O)(=O)CC2CCCC2)CCCNC1.Cl
InChIInChI=1S/C13H26N2O2S.ClH/c1-13(7-4-8-14-10-13)11-15-18(16,17)9-12-5-2-3-6-12;/h12,14-15H,2-11H2,1H3;1H
InChIKeyRAEHDHZLJSDHRD-UHFFFAOYSA-N
MW310.89 g/mol
LogP1.91
Rot. Bonds5

About 1-cyclopentyl-N-[(3-methylpiperidin-3-yl)methyl]methanesulfonamide;hydrochloride

1-cyclopentyl-N-[(3-methylpiperidin-3-yl)methyl]methanesulfonamide;hydrochloride (PubChem CID 120876267) has the molecular formula C13H27ClN2O2S and a molecular weight of 310.89 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(3-methylpiperidin-3-yl)methyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1-cyclopentyl-N-[(3-methylpiperidin-3-yl)methyl]methanesulfonamide;hydrochloride
PubChem CID120876267
Molecular FormulaC13H27ClN2O2S
Molecular Weight310.89 g/mol
Exact Mass310.15
IUPAC Name1-cyclopentyl-N-[(3-methylpiperidin-3-yl)methyl]methanesulfonamide;hydrochloride
SMILESCC1(CNS(=O)(=O)CC2CCCC2)CCCNC1.Cl
InChIInChI=1S/C13H26N2O2S.ClH/c1-13(7-4-8-14-10-13)11-15-18(16,17)9-12-5-2-3-6-12;/h12,14-15H,2-11H2,1H3;1H
InChIKeyRAEHDHZLJSDHRD-UHFFFAOYSA-N
XLogP1.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.89
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[(3-methylpiperidin-3-yl)methyl]methanesulfonamide;hydrochloride
CID 120720655
N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-3-yl)methanesulfonamide;hydrochloride
CID 120720798
N-[(3-methylpiperidin-3-yl)methyl]cyclopropanesulfonamide;hydrochloride
CID 120720826
3-[(dimethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride
CID 120720873
3-[(diethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride
CID 120720872
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 107164560
N-[(1-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide;hydrochloride
CID 119958818
1-cyclopentyl-N-[(3,3-dimethylpiperidin-2-yl)methyl]methanesulfonamide
CID 119052640
1-cyclopentyl-N-[[1-(dimethylamino)cyclohexyl]methyl]methanesulfonamide
CID 131891984
N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-ylmethanesulfonamide
CID 83120440
4-tert-butyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720862
N-[(1-methylsulfanylcyclobutyl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 114116779

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(3-methylpiperidin-3-yl)methyl]methanesulfonamide;hydrochloride?
The IUPAC name of 1-cyclopentyl-N-[(3-methylpiperidin-3-yl)methyl]methanesulfonamide;hydrochloride (CID 120876267) is 1-cyclopentyl-N-[(3-methylpiperidin-3-yl)methyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for 1-cyclopentyl-N-[(3-methylpiperidin-3-yl)methyl]methanesulfonamide;hydrochloride?
The canonical SMILES for 1-cyclopentyl-N-[(3-methylpiperidin-3-yl)methyl]methanesulfonamide;hydrochloride is CC1(CNS(=O)(=O)CC2CCCC2)CCCNC1.Cl.
What is the InChIKey of 1-cyclopentyl-N-[(3-methylpiperidin-3-yl)methyl]methanesulfonamide;hydrochloride?
The InChIKey is RAEHDHZLJSDHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S.ClH/c1-13(7-4-8-14-10-13)11-15-18(16,17)9-12-5-2-3-6-12;/h12,14-15H,2-11H2,1H3;1H.
What are the key properties of 1-cyclopentyl-N-[(3-methylpiperidin-3-yl)methyl]methanesulfonamide;hydrochloride?
1-cyclopentyl-N-[(3-methylpiperidin-3-yl)methyl]methanesulfonamide;hydrochloride has a molecular weight of 310.89 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(3-methylpiperidin-3-yl)methyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 120876267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).