3-[1-[(4-methoxycyclohexyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide

C17H28N2O3S — CID 91660415

IUPAC3-[1-[(4-methoxycyclohexyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide
SMILESCOC1CCC(NC(C)c2cccc(S(=O)(=O)N(C)C)c2)CC1
InChIInChI=1S/C17H28N2O3S/c1-13(18-15-8-10-16(22-4)11-9-15)14-6-5-7-17(12-14)23(20,21)19(2)3/h5-7,12-13,15-16,18H,8-11H2,1-4H3
InChIKeyXFJHLAAPJDUAEE-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.55
Rot. Bonds6

About 3-[1-[(4-methoxycyclohexyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide

3-[1-[(4-methoxycyclohexyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 91660415) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is 3-[1-[(4-methoxycyclohexyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[1-[(4-methoxycyclohexyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide
PubChem CID91660415
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name3-[1-[(4-methoxycyclohexyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide
SMILESCOC1CCC(NC(C)c2cccc(S(=O)(=O)N(C)C)c2)CC1
InChIInChI=1S/C17H28N2O3S/c1-13(18-15-8-10-16(22-4)11-9-15)14-6-5-7-17(12-14)23(20,21)19(2)3/h5-7,12-13,15-16,18H,8-11H2,1-4H3
InChIKeyXFJHLAAPJDUAEE-UHFFFAOYSA-N
XLogP2.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxycyclohexan-1-amine
CID 113414414
3-[1-(cyclobutylamino)ethyl]benzenesulfonamide
CID 62414933
3-[1-(cyclopentylamino)ethyl]benzenesulfonamide
CID 43756468
3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
CID 43775785
N,N-dimethyl-4-[1-[(1-methylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
CID 119145608
3-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide
CID 43715534
3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 103911013
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(dimethylsulfamoyl)benzoate
CID 7666884
4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 113414416
3-[1-[[2-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 111521852
3-(1-aminoethyl)-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43265234
N,N-dimethyl-3-(thian-4-ylamino)benzenesulfonamide
CID 43715600

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-methoxycyclohexyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[1-[(4-methoxycyclohexyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide (CID 91660415) is 3-[1-[(4-methoxycyclohexyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[1-[(4-methoxycyclohexyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[1-[(4-methoxycyclohexyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide is COC1CCC(NC(C)c2cccc(S(=O)(=O)N(C)C)c2)CC1.
What is the InChIKey of 3-[1-[(4-methoxycyclohexyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is XFJHLAAPJDUAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-13(18-15-8-10-16(22-4)11-9-15)14-6-5-7-17(12-14)23(20,21)19(2)3/h5-7,12-13,15-16,18H,8-11H2,1-4H3.
What are the key properties of 3-[1-[(4-methoxycyclohexyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide?
3-[1-[(4-methoxycyclohexyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 340.49 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-methoxycyclohexyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 91660415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).