N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3,5-dimethylpiperidine-1-sulfonamide

C15H30N2O3S — CID 115755605

IUPACN-[[1-(hydroxymethyl)cyclohexyl]methyl]-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NCC2(CO)CCCCC2)C1
InChIInChI=1S/C15H30N2O3S/c1-13-8-14(2)10-17(9-13)21(19,20)16-11-15(12-18)6-4-3-5-7-15/h13-14,16,18H,3-12H2,1-2H3
InChIKeyVXTCSRXWFJVLCW-UHFFFAOYSA-N
MW318.48 g/mol
LogP1.74
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3,5-dimethylpiperidine-1-sulfonamide

N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3,5-dimethylpiperidine-1-sulfonamide (PubChem CID 115755605) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3,5-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-3,5-dimethylpiperidine-1-sulfonamide
PubChem CID115755605
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NCC2(CO)CCCCC2)C1
InChIInChI=1S/C15H30N2O3S/c1-13-8-14(2)10-17(9-13)21(19,20)16-11-15(12-18)6-4-3-5-7-15/h13-14,16,18H,3-12H2,1-2H3
InChIKeyVXTCSRXWFJVLCW-UHFFFAOYSA-N
XLogP1.74
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(hydroxymethyl)cyclopentyl]methyl]azepane-1-sulfonamide
CID 115362877
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylpiperidine-1-sulfonamide
CID 115455401
N-[[1-(hydroxymethyl)cyclohexyl]methyl]piperazine-1-sulfonamide
CID 103967074
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpiperidine-1-sulfonamide
CID 115362866
N-[(3-hydroxyoxolan-3-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 103848147
[1-[(3,5-dimethylpiperidin-1-yl)methyl]cyclohexyl]methanol
CID 55055320
3,5-dimethyl-N-propylpiperidine-1-sulfonamide
CID 43243297
3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-2-hydroxypropanamide
CID 107258297
1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618524
N-(2-aminoethyl)-3,5-dimethylpiperidine-1-sulfonamide
CID 43603509
2-[[(3,5-dimethylpiperidin-1-yl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 65221418
3,5-dimethyl-N-[2-(methylamino)ethyl]piperidine-1-sulfonamide;hydrochloride
CID 119973056

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3,5-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3,5-dimethylpiperidine-1-sulfonamide (CID 115755605) is N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3,5-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3,5-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3,5-dimethylpiperidine-1-sulfonamide is CC1CC(C)CN(S(=O)(=O)NCC2(CO)CCCCC2)C1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3,5-dimethylpiperidine-1-sulfonamide?
The InChIKey is VXTCSRXWFJVLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-13-8-14(2)10-17(9-13)21(19,20)16-11-15(12-18)6-4-3-5-7-15/h13-14,16,18H,3-12H2,1-2H3.
What are the key properties of N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3,5-dimethylpiperidine-1-sulfonamide?
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3,5-dimethylpiperidine-1-sulfonamide has a molecular weight of 318.48 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3,5-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 115755605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).