[1-(2-methylpentoxymethyl)cyclohexyl]methanesulfonamide

C14H29NO3S — CID 103285991

IUPAC[1-(2-methylpentoxymethyl)cyclohexyl]methanesulfonamide
SMILESCCCC(C)COCC1(CS(N)(=O)=O)CCCCC1
InChIInChI=1S/C14H29NO3S/c1-3-7-13(2)10-18-11-14(12-19(15,16)17)8-5-4-6-9-14/h13H,3-12H2,1-2H3,(H2,15,16,17)
InChIKeyZIGPJVFZFSNMHC-UHFFFAOYSA-N
MW291.46 g/mol
LogP2.68
Rot. Bonds8

About [1-(2-methylpentoxymethyl)cyclohexyl]methanesulfonamide

[1-(2-methylpentoxymethyl)cyclohexyl]methanesulfonamide (PubChem CID 103285991) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is [1-(2-methylpentoxymethyl)cyclohexyl]methanesulfonamide.

Molecular Properties

Compound Name[1-(2-methylpentoxymethyl)cyclohexyl]methanesulfonamide
PubChem CID103285991
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC Name[1-(2-methylpentoxymethyl)cyclohexyl]methanesulfonamide
SMILESCCCC(C)COCC1(CS(N)(=O)=O)CCCCC1
InChIInChI=1S/C14H29NO3S/c1-3-7-13(2)10-18-11-14(12-19(15,16)17)8-5-4-6-9-14/h13H,3-12H2,1-2H3,(H2,15,16,17)
InChIKeyZIGPJVFZFSNMHC-UHFFFAOYSA-N
XLogP2.68
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-methylpentoxymethyl)cycloheptyl]methanesulfonyl chloride
CID 103285988
[1-(3-methylbutoxymethyl)cycloheptyl]methanesulfonamide
CID 65010385
[1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonamide
CID 82010399
[1-(1-ethoxypropan-2-yloxymethyl)cycloheptyl]methanesulfonamide
CID 103491018
[1-(2-methoxyethoxymethyl)cycloheptyl]methanesulfonamide
CID 65010433
[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methanesulfonamide
CID 65006896
[1-(cyclohexylmethoxymethyl)cycloheptyl]methanesulfonamide
CID 65009994
[4-[2-(2-methylpropoxy)ethoxymethyl]oxan-4-yl]methanesulfonamide
CID 106450636
[1-(2-ethylhexoxymethyl)cyclohexyl]methanesulfonyl chloride
CID 65007085
[1-[(4-methylcyclohexyl)oxymethyl]cyclohexyl]methanesulfonamide
CID 65006992
2-methylpentyl 1-aminocycloheptane-1-carboxylate
CID 103284238
[1-(cycloheptyloxymethyl)cycloheptyl]methanesulfonamide
CID 65010094

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpentoxymethyl)cyclohexyl]methanesulfonamide?
The IUPAC name of [1-(2-methylpentoxymethyl)cyclohexyl]methanesulfonamide (CID 103285991) is [1-(2-methylpentoxymethyl)cyclohexyl]methanesulfonamide.
What is the SMILES notation for [1-(2-methylpentoxymethyl)cyclohexyl]methanesulfonamide?
The canonical SMILES for [1-(2-methylpentoxymethyl)cyclohexyl]methanesulfonamide is CCCC(C)COCC1(CS(N)(=O)=O)CCCCC1.
What is the InChIKey of [1-(2-methylpentoxymethyl)cyclohexyl]methanesulfonamide?
The InChIKey is ZIGPJVFZFSNMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-3-7-13(2)10-18-11-14(12-19(15,16)17)8-5-4-6-9-14/h13H,3-12H2,1-2H3,(H2,15,16,17).
What are the key properties of [1-(2-methylpentoxymethyl)cyclohexyl]methanesulfonamide?
[1-(2-methylpentoxymethyl)cyclohexyl]methanesulfonamide has a molecular weight of 291.46 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpentoxymethyl)cyclohexyl]methanesulfonamide is sourced from PubChem (CID 103285991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).