1-[4-[(2-methylsulfonylcyclopentyl)amino]piperidin-1-yl]ethanone

C13H24N2O3S — CID 65044493

IUPAC1-[4-[(2-methylsulfonylcyclopentyl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2CCCC2S(C)(=O)=O)CC1
InChIInChI=1S/C13H24N2O3S/c1-10(16)15-8-6-11(7-9-15)14-12-4-3-5-13(12)19(2,17)18/h11-14H,3-9H2,1-2H3
InChIKeyJKCWYHHHWSOUJP-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.55
Rot. Bonds3

About 1-[4-[(2-methylsulfonylcyclopentyl)amino]piperidin-1-yl]ethanone

1-[4-[(2-methylsulfonylcyclopentyl)amino]piperidin-1-yl]ethanone (PubChem CID 65044493) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 1-[4-[(2-methylsulfonylcyclopentyl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-methylsulfonylcyclopentyl)amino]piperidin-1-yl]ethanone
PubChem CID65044493
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name1-[4-[(2-methylsulfonylcyclopentyl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2CCCC2S(C)(=O)=O)CC1
InChIInChI=1S/C13H24N2O3S/c1-10(16)15-8-6-11(7-9-15)14-12-4-3-5-13(12)19(2,17)18/h11-14H,3-9H2,1-2H3
InChIKeyJKCWYHHHWSOUJP-UHFFFAOYSA-N
XLogP0.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(2-methylsulfonylcyclopentyl)amino]piperidine-1-carboxylate
CID 65046809
N-cyclopentyl-2-methylsulfonylcyclohexan-1-amine
CID 115910643
1-[4-(cyclopentylamino)piperidin-1-yl]ethanone
CID 43222863
1-[4-[(2-cyclopentyloxycyclohexyl)amino]piperidin-1-yl]ethanone
CID 84596160
1-[4-[[2-(trifluoromethyl)cyclohexyl]amino]piperidin-1-yl]ethanone
CID 43434521
tert-butyl N-[3-[(2-methylsulfonylcyclopentyl)amino]cyclobutyl]carbamate
CID 107239046
cis-(1R,2S)-N-methyl-2-[[(1S,2S)-2-methylsulfonylcyclohexyl]amino]cyclohexane-1-carboxamide
CID 124856655
1-[4-[(2,3-dimethylcyclopentyl)amino]piperidin-1-yl]ethanone
CID 64907781
cis-(1R,2S)-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 94586193
1-methyl-5-[(2-methylsulfonylcyclopentyl)amino]piperidin-2-one
CID 65045865
N-[(1R,2R)-2-methylsulfonylcyclohexyl]-1-(2-phenylethyl)piperidin-4-amine
CID 167892083
1-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]ethanone
CID 43223565

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methylsulfonylcyclopentyl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(2-methylsulfonylcyclopentyl)amino]piperidin-1-yl]ethanone (CID 65044493) is 1-[4-[(2-methylsulfonylcyclopentyl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(2-methylsulfonylcyclopentyl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(2-methylsulfonylcyclopentyl)amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NC2CCCC2S(C)(=O)=O)CC1.
What is the InChIKey of 1-[4-[(2-methylsulfonylcyclopentyl)amino]piperidin-1-yl]ethanone?
The InChIKey is JKCWYHHHWSOUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-10(16)15-8-6-11(7-9-15)14-12-4-3-5-13(12)19(2,17)18/h11-14H,3-9H2,1-2H3.
What are the key properties of 1-[4-[(2-methylsulfonylcyclopentyl)amino]piperidin-1-yl]ethanone?
1-[4-[(2-methylsulfonylcyclopentyl)amino]piperidin-1-yl]ethanone has a molecular weight of 288.41 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methylsulfonylcyclopentyl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 65044493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).