N-[3-(5-methylhexan-2-yl)cyclohexyl]methanesulfonamide

C14H29NO2S — CID 123742390

IUPACN-[3-(5-methylhexan-2-yl)cyclohexyl]methanesulfonamide
SMILESCC(C)CCC(C)C1CCCC(NS(C)(=O)=O)C1
InChIInChI=1S/C14H29NO2S/c1-11(2)8-9-12(3)13-6-5-7-14(10-13)15-18(4,16)17/h11-15H,5-10H2,1-4H3
InChIKeyQFOYSBOBKGZAIN-UHFFFAOYSA-N
MW275.46 g/mol
LogP3.17
Rot. Bonds6

About N-[3-(5-methylhexan-2-yl)cyclohexyl]methanesulfonamide

N-[3-(5-methylhexan-2-yl)cyclohexyl]methanesulfonamide (PubChem CID 123742390) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is N-[3-(5-methylhexan-2-yl)cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(5-methylhexan-2-yl)cyclohexyl]methanesulfonamide
PubChem CID123742390
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC NameN-[3-(5-methylhexan-2-yl)cyclohexyl]methanesulfonamide
SMILESCC(C)CCC(C)C1CCCC(NS(C)(=O)=O)C1
InChIInChI=1S/C14H29NO2S/c1-11(2)8-9-12(3)13-6-5-7-14(10-13)15-18(4,16)17/h11-15H,5-10H2,1-4H3
InChIKeyQFOYSBOBKGZAIN-UHFFFAOYSA-N
XLogP3.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methylhexan-2-yl)cyclohexyl]methanesulfonamide?
The IUPAC name of N-[3-(5-methylhexan-2-yl)cyclohexyl]methanesulfonamide (CID 123742390) is N-[3-(5-methylhexan-2-yl)cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[3-(5-methylhexan-2-yl)cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[3-(5-methylhexan-2-yl)cyclohexyl]methanesulfonamide is CC(C)CCC(C)C1CCCC(NS(C)(=O)=O)C1.
What is the InChIKey of N-[3-(5-methylhexan-2-yl)cyclohexyl]methanesulfonamide?
The InChIKey is QFOYSBOBKGZAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-11(2)8-9-12(3)13-6-5-7-14(10-13)15-18(4,16)17/h11-15H,5-10H2,1-4H3.
What are the key properties of N-[3-(5-methylhexan-2-yl)cyclohexyl]methanesulfonamide?
N-[3-(5-methylhexan-2-yl)cyclohexyl]methanesulfonamide has a molecular weight of 275.46 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methylhexan-2-yl)cyclohexyl]methanesulfonamide is sourced from PubChem (CID 123742390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).