N-[(3-hydroxycyclopentyl)methyl]-1-methylsulfonylpiperidine-2-carboxamide

C13H24N2O4S — CID 103280167

IUPACN-[(3-hydroxycyclopentyl)methyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCCC1C(=O)NCC1CCC(O)C1
InChIInChI=1S/C13H24N2O4S/c1-20(18,19)15-7-3-2-4-12(15)13(17)14-9-10-5-6-11(16)8-10/h10-12,16H,2-9H2,1H3,(H,14,17)
InChIKeyZDQGFIPADHODFB-UHFFFAOYSA-N
MW304.41 g/mol
LogP0.08
Rot. Bonds4

About N-[(3-hydroxycyclopentyl)methyl]-1-methylsulfonylpiperidine-2-carboxamide

N-[(3-hydroxycyclopentyl)methyl]-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 103280167) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-[(3-hydroxycyclopentyl)methyl]-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclopentyl)methyl]-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID103280167
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC NameN-[(3-hydroxycyclopentyl)methyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCCC1C(=O)NCC1CCC(O)C1
InChIInChI=1S/C13H24N2O4S/c1-20(18,19)15-7-3-2-4-12(15)13(17)14-9-10-5-6-11(16)8-10/h10-12,16H,2-9H2,1H3,(H,14,17)
InChIKeyZDQGFIPADHODFB-UHFFFAOYSA-N
XLogP0.08
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 47158071
(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 124831536
(2S)-1-methylsulfonyl-N-[[(1S,3R)-3-[[(2R)-oxolane-2-carbonyl]amino]cyclopentyl]methyl]pyrrolidine-2-carboxamide
CID 166378342
(2S)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 94014919
(2R)-1-methylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 124748947
N-[(3-hydroxycyclopentyl)methyl]cyclopropanecarboxamide
CID 103280320
2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid
CID 62676219
(2S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 94106905
2-hydroxy-2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid
CID 66172342
N-(1,3-dihydroxypropan-2-yl)-1-methylsulfonylpiperidine-2-carboxamide
CID 65309919
2-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]butanoic acid
CID 65218125
(2R)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 124805895

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-1-methylsulfonylpiperidine-2-carboxamide (CID 103280167) is N-[(3-hydroxycyclopentyl)methyl]-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclopentyl)methyl]-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclopentyl)methyl]-1-methylsulfonylpiperidine-2-carboxamide is CS(=O)(=O)N1CCCCC1C(=O)NCC1CCC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclopentyl)methyl]-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is ZDQGFIPADHODFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-20(18,19)15-7-3-2-4-12(15)13(17)14-9-10-5-6-11(16)8-10/h10-12,16H,2-9H2,1H3,(H,14,17).
What are the key properties of N-[(3-hydroxycyclopentyl)methyl]-1-methylsulfonylpiperidine-2-carboxamide?
N-[(3-hydroxycyclopentyl)methyl]-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 304.41 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclopentyl)methyl]-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 103280167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).