2-cyclopentyl-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]acetamide

C14H26N2O3S — CID 164642734

IUPAC2-cyclopentyl-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]acetamide
SMILESCS(=O)(=O)N1CCC[C@H](CNC(=O)CC2CCCC2)C1
InChIInChI=1S/C14H26N2O3S/c1-20(18,19)16-8-4-7-13(11-16)10-15-14(17)9-12-5-2-3-6-12/h12-13H,2-11H2,1H3,(H,15,17)/t13-/m1/s1
InChIKeyXHZWDTPIWACKMU-CYBMUJFWSA-N
MW302.44 g/mol
LogP1.35
Rot. Bonds5

About 2-cyclopentyl-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]acetamide

2-cyclopentyl-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]acetamide (PubChem CID 164642734) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-cyclopentyl-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]acetamide
PubChem CID164642734
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name2-cyclopentyl-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]acetamide
SMILESCS(=O)(=O)N1CCC[C@H](CNC(=O)CC2CCCC2)C1
InChIInChI=1S/C14H26N2O3S/c1-20(18,19)16-8-4-7-13(11-16)10-15-14(17)9-12-5-2-3-6-12/h12-13H,2-11H2,1H3,(H,15,17)/t13-/m1/s1
InChIKeyXHZWDTPIWACKMU-CYBMUJFWSA-N
XLogP1.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pentanamide, N-(1-(ethylsulfonyl)-4-piperidinyl)-2-propyl-
CID 1822717
Cyclohexanecarboxylic acid (1-ethanesulfonyl-piperidin-4-yl)-amide
CID 645503
3-Cyclopentyl-1-[4-(methylsulfonyl)piperazin-1-yl]propan-1-one
CID 806859
1-Methanesulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide
CID 3261210
N-[3-(diethylamino)propyl]-1-(methylsulfonyl)piperidine-4-carboxamide
CID 4087817
N-[1-(cyclopentanecarbonyl)piperidin-4-yl]ethanesulfonamide
CID 40166757
N-[1-Cyclopentyl-2-[4-(methylsulfonyl)-1-piperazinyl]-2-oxoethyl]acetamide
CID 45805462
N-((1-(methylsulfonyl)piperidin-4-yl)methyl)cyclobutanecarboxamide
CID 49688170
N-((1-(methylsulfonyl)piperidin-4-yl)methyl)cyclopentanecarboxamide
CID 49688177
(2S,3S)-N,2-dimethyl-1-(methylsulfonyl)piperidine-3-carboxamide
CID 155294420
N-cyclopentyl-1-(methylsulfonyl)piperidine-4-carboxamide
CID 774895
N-butyl-1-(methylsulfonyl)piperidine-3-carboxamide
CID 3453576

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]acetamide (CID 164642734) is 2-cyclopentyl-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]acetamide is CS(=O)(=O)N1CCC[C@H](CNC(=O)CC2CCCC2)C1.
What is the InChIKey of 2-cyclopentyl-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]acetamide?
The InChIKey is XHZWDTPIWACKMU-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-20(18,19)16-8-4-7-13(11-16)10-15-14(17)9-12-5-2-3-6-12/h12-13H,2-11H2,1H3,(H,15,17)/t13-/m1/s1.
What are the key properties of 2-cyclopentyl-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]acetamide?
2-cyclopentyl-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]acetamide has a molecular weight of 302.44 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 164642734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).