N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide

C14H26N2O4S — CID 115362212

IUPACN-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NCC2(CO)CCCC2)C1
InChIInChI=1S/C14H26N2O4S/c1-21(19,20)16-8-4-5-12(9-16)13(18)15-10-14(11-17)6-2-3-7-14/h12,17H,2-11H2,1H3,(H,15,18)
InChIKeyNXRQOSCWQUOWSJ-UHFFFAOYSA-N
MW318.44 g/mol
LogP0.33
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 115362212) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID115362212
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)NCC2(CO)CCCC2)C1
InChIInChI=1S/C14H26N2O4S/c1-21(19,20)16-8-4-5-12(9-16)13(18)15-10-14(11-17)6-2-3-7-14/h12,17H,2-11H2,1H3,(H,15,18)
InChIKeyNXRQOSCWQUOWSJ-UHFFFAOYSA-N
XLogP0.33
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 110292609
1-[[(1-methylsulfonylpiperidine-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81369622
1-acetyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperidine-3-carboxamide
CID 115701327
(3R)-1-methylsulfonyl-N-prop-2-enylpiperidine-3-carboxamide
CID 7030681
N-(2,2-difluoro-3-hydroxypropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 104858019
2-methyl-3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoic acid
CID 55105113
methyl 3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate
CID 60729585
N-[(2R)-2-hydroxypropyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 83031962
N-(3-methylbutyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 3261210
(3S)-N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95875451
5-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pentanoic acid
CID 62032860
3-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoic acid
CID 43357770

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide (CID 115362212) is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide is CS(=O)(=O)N1CCCC(C(=O)NCC2(CO)CCCC2)C1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is NXRQOSCWQUOWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-21(19,20)16-8-4-5-12(9-16)13(18)15-10-14(11-17)6-2-3-7-14/h12,17H,2-11H2,1H3,(H,15,18).
What are the key properties of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide?
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 318.44 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 115362212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).