N,N-dimethyl-2-[[(2-methylsulfonylcyclohexyl)amino]methyl]benzenesulfonamide

C16H26N2O4S2 — CID 136520483

IUPACN,N-dimethyl-2-[[(2-methylsulfonylcyclohexyl)amino]methyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC1CCCCC1S(C)(=O)=O
InChIInChI=1S/C16H26N2O4S2/c1-18(2)24(21,22)15-10-6-4-8-13(15)12-17-14-9-5-7-11-16(14)23(3,19)20/h4,6,8,10,14,16-17H,5,7,9,11-12H2,1-3H3
InChIKeyOZLAYHWXXLDZKO-UHFFFAOYSA-N
MW374.53 g/mol
LogP1.38
Rot. Bonds6

About N,N-dimethyl-2-[[(2-methylsulfonylcyclohexyl)amino]methyl]benzenesulfonamide

N,N-dimethyl-2-[[(2-methylsulfonylcyclohexyl)amino]methyl]benzenesulfonamide (PubChem CID 136520483) has the molecular formula C16H26N2O4S2 and a molecular weight of 374.53 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(2-methylsulfonylcyclohexyl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(2-methylsulfonylcyclohexyl)amino]methyl]benzenesulfonamide
PubChem CID136520483
Molecular FormulaC16H26N2O4S2
Molecular Weight374.53 g/mol
Exact Mass374.13
IUPAC NameN,N-dimethyl-2-[[(2-methylsulfonylcyclohexyl)amino]methyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC1CCCCC1S(C)(=O)=O
InChIInChI=1S/C16H26N2O4S2/c1-18(2)24(21,22)15-10-6-4-8-13(15)12-17-14-9-5-7-11-16(14)23(3,19)20/h4,6,8,10,14,16-17H,5,7,9,11-12H2,1-3H3
InChIKeyOZLAYHWXXLDZKO-UHFFFAOYSA-N
XLogP1.38
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 41468178
1-[[2-[[(2-methylsulfonylcyclohexyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 136520485
2-[(2-chlorocyclohexyl)amino]-N,N-dimethylbenzenesulfonamide
CID 65029451
2-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide
CID 43383449
N-[(4-bromophenyl)methyl]-2-methylsulfonylcyclohexan-1-amine
CID 75471725
2-(cycloheptylamino)-N,N-dimethylbenzenesulfonamide
CID 43454494
2-methylsulfonyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 75384290
N-(furan-2-ylmethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046629
2-(2-amino-2-cyclopropylethyl)-N,N-dimethylbenzenesulfonamide
CID 55201286
N-[[2-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119276890
3-(cyclohexylcarbamoylamino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]propanamide
CID 16622876
2,6-dichloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide
CID 24603139

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(2-methylsulfonylcyclohexyl)amino]methyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-2-[[(2-methylsulfonylcyclohexyl)amino]methyl]benzenesulfonamide (CID 136520483) is N,N-dimethyl-2-[[(2-methylsulfonylcyclohexyl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[[(2-methylsulfonylcyclohexyl)amino]methyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[[(2-methylsulfonylcyclohexyl)amino]methyl]benzenesulfonamide is CN(C)S(=O)(=O)c1ccccc1CNC1CCCCC1S(C)(=O)=O.
What is the InChIKey of N,N-dimethyl-2-[[(2-methylsulfonylcyclohexyl)amino]methyl]benzenesulfonamide?
The InChIKey is OZLAYHWXXLDZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S2/c1-18(2)24(21,22)15-10-6-4-8-13(15)12-17-14-9-5-7-11-16(14)23(3,19)20/h4,6,8,10,14,16-17H,5,7,9,11-12H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[[(2-methylsulfonylcyclohexyl)amino]methyl]benzenesulfonamide?
N,N-dimethyl-2-[[(2-methylsulfonylcyclohexyl)amino]methyl]benzenesulfonamide has a molecular weight of 374.53 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(2-methylsulfonylcyclohexyl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 136520483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).