4-[2-[(4-aminocyclohexyl)amino]ethyl]benzenesulfonamide

C14H23N3O2S — CID 79742039

IUPAC4-[2-[(4-aminocyclohexyl)amino]ethyl]benzenesulfonamide
SMILESNC1CCC(NCCc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C14H23N3O2S/c15-12-3-5-13(6-4-12)17-10-9-11-1-7-14(8-2-11)20(16,18)19/h1-2,7-8,12-13,17H,3-6,9-10,15H2,(H2,16,18,19)
InChIKeyREULVHIHNQDUTN-UHFFFAOYSA-N
MW297.42 g/mol
LogP0.74
Rot. Bonds5

About 4-[2-[(4-aminocyclohexyl)amino]ethyl]benzenesulfonamide

4-[2-[(4-aminocyclohexyl)amino]ethyl]benzenesulfonamide (PubChem CID 79742039) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-[2-[(4-aminocyclohexyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(4-aminocyclohexyl)amino]ethyl]benzenesulfonamide
PubChem CID79742039
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-[2-[(4-aminocyclohexyl)amino]ethyl]benzenesulfonamide
SMILESNC1CCC(NCCc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C14H23N3O2S/c15-12-3-5-13(6-4-12)17-10-9-11-1-7-14(8-2-11)20(16,18)19/h1-2,7-8,12-13,17H,3-6,9-10,15H2,(H2,16,18,19)
InChIKeyREULVHIHNQDUTN-UHFFFAOYSA-N
XLogP0.74
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(3-aminocyclobutyl)amino]ethyl]benzenesulfonamide
CID 80560838
4-[2-(cyclohexylamino)ethyl]benzenesulfonamide
CID 54995569
4-[2-(thian-4-ylamino)ethyl]benzenesulfonamide
CID 54995674
4-[2-[(3-methylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64500491
4-[2-[(1-propylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
CID 119164939
4-[2-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 106872019
4-[2-[(3-methoxycyclobutyl)amino]ethyl]benzenesulfonamide
CID 104872021
4-[2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]ethyl]benzenesulfonamide
CID 131898978
4-[3-(cyclopropylamino)propylamino]benzenesulfonamide
CID 43599575
4-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide
CID 64760901
4-N-[2-(1H-pyrrol-3-yl)ethyl]cyclohexane-1,4-diamine
CID 115149878
4-[2-(cyclopropylamino)ethyl]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 106032282

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-aminocyclohexyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(4-aminocyclohexyl)amino]ethyl]benzenesulfonamide (CID 79742039) is 4-[2-[(4-aminocyclohexyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(4-aminocyclohexyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(4-aminocyclohexyl)amino]ethyl]benzenesulfonamide is NC1CCC(NCCc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 4-[2-[(4-aminocyclohexyl)amino]ethyl]benzenesulfonamide?
The InChIKey is REULVHIHNQDUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c15-12-3-5-13(6-4-12)17-10-9-11-1-7-14(8-2-11)20(16,18)19/h1-2,7-8,12-13,17H,3-6,9-10,15H2,(H2,16,18,19).
What are the key properties of 4-[2-[(4-aminocyclohexyl)amino]ethyl]benzenesulfonamide?
4-[2-[(4-aminocyclohexyl)amino]ethyl]benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-aminocyclohexyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 79742039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).