4-[1-[(2,5-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide

C16H26N2O2S — CID 64762405

IUPAC4-[1-[(2,5-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide
SMILESCC1CCC(C)C(NC(C)c2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C16H26N2O2S/c1-11-4-5-12(2)16(10-11)18-13(3)14-6-8-15(9-7-14)21(17,19)20/h6-9,11-13,16,18H,4-5,10H2,1-3H3,(H2,17,19,20)
InChIKeyTZUKCWNVXJKDIG-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.81
Rot. Bonds4

About 4-[1-[(2,5-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide

4-[1-[(2,5-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide (PubChem CID 64762405) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 4-[1-[(2,5-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[(2,5-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide
PubChem CID64762405
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name4-[1-[(2,5-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide
SMILESCC1CCC(C)C(NC(C)c2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C16H26N2O2S/c1-11-4-5-12(2)16(10-11)18-13(3)14-6-8-15(9-7-14)21(17,19)20/h6-9,11-13,16,18H,4-5,10H2,1-3H3,(H2,17,19,20)
InChIKeyTZUKCWNVXJKDIG-UHFFFAOYSA-N
XLogP2.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(2-methylcyclopropyl)amino]ethyl]benzenesulfonamide
CID 62396330
4-[1-(cyclohexylamino)ethyl]benzenesulfonamide
CID 43681895
4-[1-(cyclopropylsulfonylamino)ethyl]benzenesulfonamide
CID 64555165
2,5-dimethyl-N-(1-thiophen-3-ylethyl)cyclohexan-1-amine
CID 64761315
4-[1-[(3-ethylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64502296
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 64761855
4-[1-[(4-ethylcyclohexyl)amino]ethyl]benzenesulfonamide
CID 43681869
N-[1-(3-chlorophenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 64774146
2,5-dimethyl-N-[(1R)-1-pyridin-3-ylethyl]cyclohexan-1-amine
CID 81406468
3-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64907782
2,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81349071
4-[1-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 103911415

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2,5-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-[(2,5-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide (CID 64762405) is 4-[1-[(2,5-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-[(2,5-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-[(2,5-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide is CC1CCC(C)C(NC(C)c2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of 4-[1-[(2,5-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide?
The InChIKey is TZUKCWNVXJKDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-11-4-5-12(2)16(10-11)18-13(3)14-6-8-15(9-7-14)21(17,19)20/h6-9,11-13,16,18H,4-5,10H2,1-3H3,(H2,17,19,20).
What are the key properties of 4-[1-[(2,5-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide?
4-[1-[(2,5-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2,5-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 64762405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).