2-[(4-ethylcyclohexyl)methylamino]-N-methylbenzenesulfonamide

C16H26N2O2S — CID 60972017

IUPAC2-[(4-ethylcyclohexyl)methylamino]-N-methylbenzenesulfonamide
SMILESCCC1CCC(CNc2ccccc2S(=O)(=O)NC)CC1
InChIInChI=1S/C16H26N2O2S/c1-3-13-8-10-14(11-9-13)12-18-15-6-4-5-7-16(15)21(19,20)17-2/h4-7,13-14,17-18H,3,8-12H2,1-2H3
InChIKeyBAALTMBGNKDPAK-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.22
Rot. Bonds6

About 2-[(4-ethylcyclohexyl)methylamino]-N-methylbenzenesulfonamide

2-[(4-ethylcyclohexyl)methylamino]-N-methylbenzenesulfonamide (PubChem CID 60972017) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 2-[(4-ethylcyclohexyl)methylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(4-ethylcyclohexyl)methylamino]-N-methylbenzenesulfonamide
PubChem CID60972017
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name2-[(4-ethylcyclohexyl)methylamino]-N-methylbenzenesulfonamide
SMILESCCC1CCC(CNc2ccccc2S(=O)(=O)NC)CC1
InChIInChI=1S/C16H26N2O2S/c1-3-13-8-10-14(11-9-13)12-18-15-6-4-5-7-16(15)21(19,20)17-2/h4-7,13-14,17-18H,3,8-12H2,1-2H3
InChIKeyBAALTMBGNKDPAK-UHFFFAOYSA-N
XLogP3.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 43749872
N-[(4-ethylcyclohexyl)methyl]-2-(methylamino)benzenesulfonamide
CID 62152226
2-(cyclopropylamino)-N-methylbenzenesulfonamide
CID 43454291
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 63898603
N-(cyclobutylmethyl)-2-propylsulfonylaniline
CID 43383343
2-ethylsulfonyl-N-(oxan-4-ylmethyl)aniline
CID 62385978
2-[(3-ethyl-2-methylcyclopentyl)amino]-N-methylbenzenesulfonamide
CID 64921417
2-ethylsulfonyl-N-[(3-methylcyclopentyl)methyl]aniline
CID 107414093
2-(2-methoxyethylamino)-N-methylbenzenesulfonamide
CID 43454289
2-[(4-hydroxycyclohexyl)methylamino]benzenesulfonamide
CID 106130341
2-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 106126119
N-cyclopropyl-2-[2-(methylsulfamoyl)anilino]acetamide
CID 43568446

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylcyclohexyl)methylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[(4-ethylcyclohexyl)methylamino]-N-methylbenzenesulfonamide (CID 60972017) is 2-[(4-ethylcyclohexyl)methylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[(4-ethylcyclohexyl)methylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[(4-ethylcyclohexyl)methylamino]-N-methylbenzenesulfonamide is CCC1CCC(CNc2ccccc2S(=O)(=O)NC)CC1.
What is the InChIKey of 2-[(4-ethylcyclohexyl)methylamino]-N-methylbenzenesulfonamide?
The InChIKey is BAALTMBGNKDPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-13-8-10-14(11-9-13)12-18-15-6-4-5-7-16(15)21(19,20)17-2/h4-7,13-14,17-18H,3,8-12H2,1-2H3.
What are the key properties of 2-[(4-ethylcyclohexyl)methylamino]-N-methylbenzenesulfonamide?
2-[(4-ethylcyclohexyl)methylamino]-N-methylbenzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylcyclohexyl)methylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 60972017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).