1-cyclohexyl-N-pentan-3-ylmethanesulfonamide

C12H25NO2S — CID 72148715

IUPAC1-cyclohexyl-N-pentan-3-ylmethanesulfonamide
SMILESCCC(CC)NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C12H25NO2S/c1-3-12(4-2)13-16(14,15)10-11-8-6-5-7-9-11/h11-13H,3-10H2,1-2H3
InChIKeySZCGVLWIOVPDBJ-UHFFFAOYSA-N
MW247.40 g/mol
LogP3.60
Rot. Bonds6

About 1-cyclohexyl-N-pentan-3-ylmethanesulfonamide

1-cyclohexyl-N-pentan-3-ylmethanesulfonamide (PubChem CID 72148715) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 1-cyclohexyl-N-pentan-3-ylmethanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-pentan-3-ylmethanesulfonamide
PubChem CID72148715
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name1-cyclohexyl-N-pentan-3-ylmethanesulfonamide
SMILESCCC(CC)NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C12H25NO2S/c1-3-12(4-2)13-16(14,15)10-11-8-6-5-7-9-11/h11-13H,3-10H2,1-2H3
InChIKeySZCGVLWIOVPDBJ-UHFFFAOYSA-N
XLogP3.60
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity272

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-methylmethanesulfonamide
CID 19877943
N-(cyclohexylmethyl)methanesulfonamide
CID 19684282
2-Amino-2-cyclohexylethanesulfonic acid
CID 10798377
3-Amino-3-cyclohexylpropane-1-sulfonic acid
CID 21666758
N-(cyclohexylmethyl)cyclohexanesulfonamide
CID 72138709
N-(3-ethylcyclohexyl)-3,3-dimethylbutane-1-sulfonamide
CID 91643251
1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide
CID 95733766
N-[(2S)-but-3-yn-2-yl]-1-cyclohexylmethanesulfonamide
CID 99718746
1-(3-fluoro-4-methylcyclohexyl)-N-propan-2-ylmethanesulfonamide
CID 163584577
1-(4-fluorocyclohexyl)-N-propan-2-ylmethanesulfonamide
CID 164015551
1-(2-fluoro-4-methylcyclohexyl)-N-propan-2-ylmethanesulfonamide
CID 164018635
N-propan-2-yl-1-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide
CID 172528636

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-pentan-3-ylmethanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-pentan-3-ylmethanesulfonamide (CID 72148715) is 1-cyclohexyl-N-pentan-3-ylmethanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-pentan-3-ylmethanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-pentan-3-ylmethanesulfonamide is CCC(CC)NS(=O)(=O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-pentan-3-ylmethanesulfonamide?
The InChIKey is SZCGVLWIOVPDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-3-12(4-2)13-16(14,15)10-11-8-6-5-7-9-11/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-pentan-3-ylmethanesulfonamide?
1-cyclohexyl-N-pentan-3-ylmethanesulfonamide has a molecular weight of 247.40 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-pentan-3-ylmethanesulfonamide is sourced from PubChem (CID 72148715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).