N-[4-[2-[cyclohexyl(methyl)amino]ethyl]phenyl]methanesulfonamide

C16H26N2O2S — CID 10902991

IUPACN-[4-[2-[cyclohexyl(methyl)amino]ethyl]phenyl]methanesulfonamide
SMILESCN(CCc1ccc(NS(C)(=O)=O)cc1)C1CCCCC1
InChIInChI=1S/C16H26N2O2S/c1-18(16-6-4-3-5-7-16)13-12-14-8-10-15(11-9-14)17-21(2,19)20/h8-11,16-17H,3-7,12-13H2,1-2H3
InChIKeyQSHBFPBGNBGDMY-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.87
Rot. Bonds6

About N-[4-[2-[cyclohexyl(methyl)amino]ethyl]phenyl]methanesulfonamide

N-[4-[2-[cyclohexyl(methyl)amino]ethyl]phenyl]methanesulfonamide (PubChem CID 10902991) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[4-[2-[cyclohexyl(methyl)amino]ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[cyclohexyl(methyl)amino]ethyl]phenyl]methanesulfonamide
PubChem CID10902991
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[4-[2-[cyclohexyl(methyl)amino]ethyl]phenyl]methanesulfonamide
SMILESCN(CCc1ccc(NS(C)(=O)=O)cc1)C1CCCCC1
InChIInChI=1S/C16H26N2O2S/c1-18(16-6-4-3-5-7-16)13-12-14-8-10-15(11-9-14)17-21(2,19)20/h8-11,16-17H,3-7,12-13H2,1-2H3
InChIKeyQSHBFPBGNBGDMY-UHFFFAOYSA-N
XLogP2.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10833784
N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]methanesulfonamide
CID 11782125
3-(4-tert-butylphenyl)-N-[(1R)-1-[4-(methanesulfonamido)phenyl]ethyl]propanethioamide
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N-[4-[2-[2-[4-(methanesulfonamido)phenyl]sulfanylethyl-methylamino]ethyl]phenyl]methanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[cyclohexyl(methyl)amino]ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[cyclohexyl(methyl)amino]ethyl]phenyl]methanesulfonamide (CID 10902991) is N-[4-[2-[cyclohexyl(methyl)amino]ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[cyclohexyl(methyl)amino]ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[cyclohexyl(methyl)amino]ethyl]phenyl]methanesulfonamide is CN(CCc1ccc(NS(C)(=O)=O)cc1)C1CCCCC1.
What is the InChIKey of N-[4-[2-[cyclohexyl(methyl)amino]ethyl]phenyl]methanesulfonamide?
The InChIKey is QSHBFPBGNBGDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-18(16-6-4-3-5-7-16)13-12-14-8-10-15(11-9-14)17-21(2,19)20/h8-11,16-17H,3-7,12-13H2,1-2H3.
What are the key properties of N-[4-[2-[cyclohexyl(methyl)amino]ethyl]phenyl]methanesulfonamide?
N-[4-[2-[cyclohexyl(methyl)amino]ethyl]phenyl]methanesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[cyclohexyl(methyl)amino]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 10902991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).