4-[1-[(4-ethylcyclohexyl)amino]ethyl]benzenesulfonamide

C16H26N2O2S — CID 43681869

IUPAC4-[1-[(4-ethylcyclohexyl)amino]ethyl]benzenesulfonamide
SMILESCCC1CCC(NC(C)c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C16H26N2O2S/c1-3-13-4-8-15(9-5-13)18-12(2)14-6-10-16(11-7-14)21(17,19)20/h6-7,10-13,15,18H,3-5,8-9H2,1-2H3,(H2,17,19,20)
InChIKeyFDTDEYURJDSSRM-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.95
Rot. Bonds5

About 4-[1-[(4-ethylcyclohexyl)amino]ethyl]benzenesulfonamide

4-[1-[(4-ethylcyclohexyl)amino]ethyl]benzenesulfonamide (PubChem CID 43681869) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 4-[1-[(4-ethylcyclohexyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[(4-ethylcyclohexyl)amino]ethyl]benzenesulfonamide
PubChem CID43681869
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name4-[1-[(4-ethylcyclohexyl)amino]ethyl]benzenesulfonamide
SMILESCCC1CCC(NC(C)c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C16H26N2O2S/c1-3-13-4-8-15(9-5-13)18-12(2)14-6-10-16(11-7-14)21(17,19)20/h6-7,10-13,15,18H,3-5,8-9H2,1-2H3,(H2,17,19,20)
InChIKeyFDTDEYURJDSSRM-UHFFFAOYSA-N
XLogP2.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(3-ethylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64502296
4-[1-(cyclohexylamino)ethyl]benzenesulfonamide
CID 43681895
4-[(1S)-1-[[(1S,3R)-3-ethylsulfanylcyclopentyl]amino]ethyl]benzenesulfonamide
CID 97113685
4-[1-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 103911415
4-[1-(oxan-3-ylamino)ethyl]benzenesulfonamide
CID 63360384
4-[1-[(2-methylcyclopropyl)amino]ethyl]benzenesulfonamide
CID 62396330
3-ethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclopentan-1-amine
CID 81349259
3-ethyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine
CID 81405604
N-[1-(4-methylsulfonylphenyl)ethyl]cyclohexanamine
CID 43177189
4-[1-(cyclopropylsulfonylamino)ethyl]benzenesulfonamide
CID 64555165
4-[1-[(2,5-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide
CID 64762405
3-[1-(cyclobutylamino)ethyl]benzenesulfonamide
CID 62414933

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-ethylcyclohexyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-[(4-ethylcyclohexyl)amino]ethyl]benzenesulfonamide (CID 43681869) is 4-[1-[(4-ethylcyclohexyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-[(4-ethylcyclohexyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-[(4-ethylcyclohexyl)amino]ethyl]benzenesulfonamide is CCC1CCC(NC(C)c2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 4-[1-[(4-ethylcyclohexyl)amino]ethyl]benzenesulfonamide?
The InChIKey is FDTDEYURJDSSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-13-4-8-15(9-5-13)18-12(2)14-6-10-16(11-7-14)21(17,19)20/h6-7,10-13,15,18H,3-5,8-9H2,1-2H3,(H2,17,19,20).
What are the key properties of 4-[1-[(4-ethylcyclohexyl)amino]ethyl]benzenesulfonamide?
4-[1-[(4-ethylcyclohexyl)amino]ethyl]benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-ethylcyclohexyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 43681869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).