[1-[(4-methylcyclohexyl)oxymethyl]cyclohexyl]methanesulfonamide

C15H29NO3S — CID 65006992

IUPAC[1-[(4-methylcyclohexyl)oxymethyl]cyclohexyl]methanesulfonamide
SMILESCC1CCC(OCC2(CS(N)(=O)=O)CCCCC2)CC1
InChIInChI=1S/C15H29NO3S/c1-13-5-7-14(8-6-13)19-11-15(12-20(16,17)18)9-3-2-4-10-15/h13-14H,2-12H2,1H3,(H2,16,17,18)
InChIKeyIANUCOLMRHIPDY-UHFFFAOYSA-N
MW303.47 g/mol
LogP2.82
Rot. Bonds5

About [1-[(4-methylcyclohexyl)oxymethyl]cyclohexyl]methanesulfonamide

[1-[(4-methylcyclohexyl)oxymethyl]cyclohexyl]methanesulfonamide (PubChem CID 65006992) has the molecular formula C15H29NO3S and a molecular weight of 303.47 g/mol. Its IUPAC name is [1-[(4-methylcyclohexyl)oxymethyl]cyclohexyl]methanesulfonamide.

Molecular Properties

Compound Name[1-[(4-methylcyclohexyl)oxymethyl]cyclohexyl]methanesulfonamide
PubChem CID65006992
Molecular FormulaC15H29NO3S
Molecular Weight303.47 g/mol
Exact Mass303.19
IUPAC Name[1-[(4-methylcyclohexyl)oxymethyl]cyclohexyl]methanesulfonamide
SMILESCC1CCC(OCC2(CS(N)(=O)=O)CCCCC2)CC1
InChIInChI=1S/C15H29NO3S/c1-13-5-7-14(8-6-13)19-11-15(12-20(16,17)18)9-3-2-4-10-15/h13-14H,2-12H2,1H3,(H2,16,17,18)
InChIKeyIANUCOLMRHIPDY-UHFFFAOYSA-N
XLogP2.82
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-methylcyclohexyl)oxymethyl]cyclohexyl]methanesulfonamide?
The IUPAC name of [1-[(4-methylcyclohexyl)oxymethyl]cyclohexyl]methanesulfonamide (CID 65006992) is [1-[(4-methylcyclohexyl)oxymethyl]cyclohexyl]methanesulfonamide.
What is the SMILES notation for [1-[(4-methylcyclohexyl)oxymethyl]cyclohexyl]methanesulfonamide?
The canonical SMILES for [1-[(4-methylcyclohexyl)oxymethyl]cyclohexyl]methanesulfonamide is CC1CCC(OCC2(CS(N)(=O)=O)CCCCC2)CC1.
What is the InChIKey of [1-[(4-methylcyclohexyl)oxymethyl]cyclohexyl]methanesulfonamide?
The InChIKey is IANUCOLMRHIPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3S/c1-13-5-7-14(8-6-13)19-11-15(12-20(16,17)18)9-3-2-4-10-15/h13-14H,2-12H2,1H3,(H2,16,17,18).
What are the key properties of [1-[(4-methylcyclohexyl)oxymethyl]cyclohexyl]methanesulfonamide?
[1-[(4-methylcyclohexyl)oxymethyl]cyclohexyl]methanesulfonamide has a molecular weight of 303.47 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methylcyclohexyl)oxymethyl]cyclohexyl]methanesulfonamide is sourced from PubChem (CID 65006992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).