N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide

C14H28N2O3S — CID 65121293

IUPACN-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NCC2(O)CCC(C)CC2)CC1
InChIInChI=1S/C14H28N2O3S/c1-12-3-7-14(17,8-4-12)11-15-20(18,19)16-9-5-13(2)6-10-16/h12-13,15,17H,3-11H2,1-2H3
InChIKeyHPEDJLKIKHZIKG-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.49
Rot. Bonds4

About N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide

N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide (PubChem CID 65121293) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide
PubChem CID65121293
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NCC2(O)CCC(C)CC2)CC1
InChIInChI=1S/C14H28N2O3S/c1-12-3-7-14(17,8-4-12)11-15-20(18,19)16-9-5-13(2)6-10-16/h12-13,15,17H,3-11H2,1-2H3
InChIKeyHPEDJLKIKHZIKG-UHFFFAOYSA-N
XLogP1.49
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide (CID 65121293) is N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)NCC2(O)CCC(C)CC2)CC1.
What is the InChIKey of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide?
The InChIKey is HPEDJLKIKHZIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-12-3-7-14(17,8-4-12)11-15-20(18,19)16-9-5-13(2)6-10-16/h12-13,15,17H,3-11H2,1-2H3.
What are the key properties of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide?
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide has a molecular weight of 304.46 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 65121293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).