3-[(3-aminocyclohexyl)amino]-N,4-dimethylbenzenesulfonamide

C14H23N3O2S — CID 79459145

IUPAC3-[(3-aminocyclohexyl)amino]-N,4-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC2CCCC(N)C2)c1
InChIInChI=1S/C14H23N3O2S/c1-10-6-7-13(20(18,19)16-2)9-14(10)17-12-5-3-4-11(15)8-12/h6-7,9,11-12,16-17H,3-5,8,15H2,1-2H3
InChIKeyHXVMMJNAJGBNET-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.58
Rot. Bonds4

About 3-[(3-aminocyclohexyl)amino]-N,4-dimethylbenzenesulfonamide

3-[(3-aminocyclohexyl)amino]-N,4-dimethylbenzenesulfonamide (PubChem CID 79459145) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-[(3-aminocyclohexyl)amino]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(3-aminocyclohexyl)amino]-N,4-dimethylbenzenesulfonamide
PubChem CID79459145
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-[(3-aminocyclohexyl)amino]-N,4-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC2CCCC(N)C2)c1
InChIInChI=1S/C14H23N3O2S/c1-10-6-7-13(20(18,19)16-2)9-14(10)17-12-5-3-4-11(15)8-12/h6-7,9,11-12,16-17H,3-5,8,15H2,1-2H3
InChIKeyHXVMMJNAJGBNET-UHFFFAOYSA-N
XLogP1.58
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(2-methyl-5-nitrophenyl)cyclohexane-1,3-diamine
CID 79458653
N,4-dimethyl-3-(thian-3-ylamino)benzenesulfonamide
CID 62873281
N,4-dimethyl-3-(thian-4-ylamino)benzenesulfonamide
CID 43752109
3-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 66031082
3-[(3-methoxycyclohexyl)amino]-4-methylbenzenesulfonamide
CID 106871906
3-[(1-cyclopropylpyrrolidin-3-yl)amino]-N,4-dimethylbenzenesulfonamide
CID 62981480
N-(3-methoxycyclohexyl)-2-methyl-5-methylsulfonylaniline
CID 106871684
3-N-(2,5-dimethylphenyl)cyclopentane-1,3-diamine
CID 79461969
N,4-dimethyl-3-[(2-methylthian-3-yl)amino]benzenesulfonamide
CID 79956480
4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 82901713
1-N-(2-bromo-4-methyl-5-nitrophenyl)cyclohexane-1,3-diamine
CID 104814980
N,4-dimethyl-3-(3-methylbutan-2-ylamino)benzenesulfonamide
CID 43752081

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminocyclohexyl)amino]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of 3-[(3-aminocyclohexyl)amino]-N,4-dimethylbenzenesulfonamide (CID 79459145) is 3-[(3-aminocyclohexyl)amino]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[(3-aminocyclohexyl)amino]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[(3-aminocyclohexyl)amino]-N,4-dimethylbenzenesulfonamide is CNS(=O)(=O)c1ccc(C)c(NC2CCCC(N)C2)c1.
What is the InChIKey of 3-[(3-aminocyclohexyl)amino]-N,4-dimethylbenzenesulfonamide?
The InChIKey is HXVMMJNAJGBNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-10-6-7-13(20(18,19)16-2)9-14(10)17-12-5-3-4-11(15)8-12/h6-7,9,11-12,16-17H,3-5,8,15H2,1-2H3.
What are the key properties of 3-[(3-aminocyclohexyl)amino]-N,4-dimethylbenzenesulfonamide?
3-[(3-aminocyclohexyl)amino]-N,4-dimethylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminocyclohexyl)amino]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 79459145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).