N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide

C15H28N2O4S — CID 110292609

IUPACN-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCC2(CO)CCCCC2)CC1
InChIInChI=1S/C15H28N2O4S/c1-22(20,21)17-9-5-13(6-10-17)14(19)16-11-15(12-18)7-3-2-4-8-15/h13,18H,2-12H2,1H3,(H,16,19)
InChIKeyGSPYFSOAAGWMJC-UHFFFAOYSA-N
MW332.47 g/mol
LogP0.72
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 110292609) has the molecular formula C15H28N2O4S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID110292609
Molecular FormulaC15H28N2O4S
Molecular Weight332.47 g/mol
Exact Mass332.18
IUPAC NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCC2(CO)CCCCC2)CC1
InChIInChI=1S/C15H28N2O4S/c1-22(20,21)17-9-5-13(6-10-17)14(19)16-11-15(12-18)7-3-2-4-8-15/h13,18H,2-12H2,1H3,(H,16,19)
InChIKeyGSPYFSOAAGWMJC-UHFFFAOYSA-N
XLogP0.72
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 115362212
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 47017929
N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide
CID 80717782
N-[1-(hydroxymethyl)cyclopropyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 115764707
1-acetyl-N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperidine-3-carboxamide
CID 115701327
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110416791
2,2-dimethyl-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 81367181
[1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexyl]methanol
CID 63005066
N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide
CID 774769
N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidine-3-carboxamide
CID 112701948
N-[(4-ethylcyclohexyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 48861702
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methyloxolane-2-carboxamide
CID 112700992

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 110292609) is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCC2(CO)CCCCC2)CC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is GSPYFSOAAGWMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4S/c1-22(20,21)17-9-5-13(6-10-17)14(19)16-11-15(12-18)7-3-2-4-8-15/h13,18H,2-12H2,1H3,(H,16,19).
What are the key properties of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 332.47 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 110292609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).