N-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide

C14H22N2O2S — CID 102639357

IUPACN-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(C)C2CCCCC2N)c1
InChIInChI=1S/C14H22N2O2S/c1-11-6-5-7-12(10-11)19(17,18)16(2)14-9-4-3-8-13(14)15/h5-7,10,13-14H,3-4,8-9,15H2,1-2H3
InChIKeyHADACIMOGCCTBI-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.89
Rot. Bonds3

About N-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide

N-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide (PubChem CID 102639357) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide
PubChem CID102639357
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(C)C2CCCCC2N)c1
InChIInChI=1S/C14H22N2O2S/c1-11-6-5-7-12(10-11)19(17,18)16(2)14-9-4-3-8-13(14)15/h5-7,10,13-14H,3-4,8-9,15H2,1-2H3
InChIKeyHADACIMOGCCTBI-UHFFFAOYSA-N
XLogP1.89
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide (CID 102639357) is N-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide is Cc1cccc(S(=O)(=O)N(C)C2CCCCC2N)c1.
What is the InChIKey of N-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide?
The InChIKey is HADACIMOGCCTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11-6-5-7-12(10-11)19(17,18)16(2)14-9-4-3-8-13(14)15/h5-7,10,13-14H,3-4,8-9,15H2,1-2H3.
What are the key properties of N-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide?
N-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 102639357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).