2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzenesulfonamide

C16H26N2O2S — CID 79870620

IUPAC2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1NC1CCCCC1(C)C
InChIInChI=1S/C16H26N2O2S/c1-16(2)12-8-7-11-15(16)17-13-9-5-6-10-14(13)21(19,20)18(3)4/h5-6,9-10,15,17H,7-8,11-12H2,1-4H3
InChIKeyMFDXJRINJROVLT-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.32
Rot. Bonds4

About 2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzenesulfonamide

2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 79870620) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzenesulfonamide
PubChem CID79870620
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1NC1CCCCC1(C)C
InChIInChI=1S/C16H26N2O2S/c1-16(2)12-8-7-11-15(16)17-13-9-5-6-10-14(13)21(19,20)18(3)4/h5-6,9-10,15,17H,7-8,11-12H2,1-4H3
InChIKeyMFDXJRINJROVLT-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzenesulfonamide (CID 79870620) is 2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccccc1NC1CCCCC1(C)C.
What is the InChIKey of 2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is MFDXJRINJROVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-16(2)12-8-7-11-15(16)17-13-9-5-6-10-14(13)21(19,20)18(3)4/h5-6,9-10,15,17H,7-8,11-12H2,1-4H3.
What are the key properties of 2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzenesulfonamide?
2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylcyclohexyl)amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 79870620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).