N-(4-aminocyclohexyl)-N-ethyl-2,5-dimethylbenzenesulfonamide

C16H26N2O2S — CID 79113665

IUPACN-(4-aminocyclohexyl)-N-ethyl-2,5-dimethylbenzenesulfonamide
SMILESCCN(C1CCC(N)CC1)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C16H26N2O2S/c1-4-18(15-9-7-14(17)8-10-15)21(19,20)16-11-12(2)5-6-13(16)3/h5-6,11,14-15H,4,7-10,17H2,1-3H3
InChIKeyRORHUWYWMCXWQB-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.58
Rot. Bonds4

About N-(4-aminocyclohexyl)-N-ethyl-2,5-dimethylbenzenesulfonamide

N-(4-aminocyclohexyl)-N-ethyl-2,5-dimethylbenzenesulfonamide (PubChem CID 79113665) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N-ethyl-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N-ethyl-2,5-dimethylbenzenesulfonamide
PubChem CID79113665
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-(4-aminocyclohexyl)-N-ethyl-2,5-dimethylbenzenesulfonamide
SMILESCCN(C1CCC(N)CC1)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C16H26N2O2S/c1-4-18(15-9-7-14(17)8-10-15)21(19,20)16-11-12(2)5-6-13(16)3/h5-6,11,14-15H,4,7-10,17H2,1-3H3
InChIKeyRORHUWYWMCXWQB-UHFFFAOYSA-N
XLogP2.58
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N-ethyl-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-N-ethyl-2,5-dimethylbenzenesulfonamide (CID 79113665) is N-(4-aminocyclohexyl)-N-ethyl-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N-ethyl-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N-ethyl-2,5-dimethylbenzenesulfonamide is CCN(C1CCC(N)CC1)S(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of N-(4-aminocyclohexyl)-N-ethyl-2,5-dimethylbenzenesulfonamide?
The InChIKey is RORHUWYWMCXWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-18(15-9-7-14(17)8-10-15)21(19,20)16-11-12(2)5-6-13(16)3/h5-6,11,14-15H,4,7-10,17H2,1-3H3.
What are the key properties of N-(4-aminocyclohexyl)-N-ethyl-2,5-dimethylbenzenesulfonamide?
N-(4-aminocyclohexyl)-N-ethyl-2,5-dimethylbenzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N-ethyl-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 79113665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).