N,3,5,5-tetramethyl-1-(3-methylsulfonylcyclohexyl)hexan-1-amine

C17H35NO2S — CID 105014333

IUPACN,3,5,5-tetramethyl-1-(3-methylsulfonylcyclohexyl)hexan-1-amine
SMILESCNC(CC(C)CC(C)(C)C)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C17H35NO2S/c1-13(12-17(2,3)4)10-16(18-5)14-8-7-9-15(11-14)21(6,19)20/h13-16,18H,7-12H2,1-6H3
InChIKeyWAIUJMCQILUDRJ-UHFFFAOYSA-N
MW317.54 g/mol
LogP3.64
Rot. Bonds6

About N,3,5,5-tetramethyl-1-(3-methylsulfonylcyclohexyl)hexan-1-amine

N,3,5,5-tetramethyl-1-(3-methylsulfonylcyclohexyl)hexan-1-amine (PubChem CID 105014333) has the molecular formula C17H35NO2S and a molecular weight of 317.54 g/mol. Its IUPAC name is N,3,5,5-tetramethyl-1-(3-methylsulfonylcyclohexyl)hexan-1-amine.

Molecular Properties

Compound NameN,3,5,5-tetramethyl-1-(3-methylsulfonylcyclohexyl)hexan-1-amine
PubChem CID105014333
Molecular FormulaC17H35NO2S
Molecular Weight317.54 g/mol
Exact Mass317.24
IUPAC NameN,3,5,5-tetramethyl-1-(3-methylsulfonylcyclohexyl)hexan-1-amine
SMILESCNC(CC(C)CC(C)(C)C)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C17H35NO2S/c1-13(12-17(2,3)4)10-16(18-5)14-8-7-9-15(11-14)21(6,19)20/h13-16,18H,7-12H2,1-6H3
InChIKeyWAIUJMCQILUDRJ-UHFFFAOYSA-N
XLogP3.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.54
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,3,5,5-tetramethyl-1-(3-methylsulfonylcyclohexyl)hexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,3,5,5-tetramethyl-1-(3-methylsulfonylcyclohexyl)hexan-1-amine?
The IUPAC name of N,3,5,5-tetramethyl-1-(3-methylsulfonylcyclohexyl)hexan-1-amine (CID 105014333) is N,3,5,5-tetramethyl-1-(3-methylsulfonylcyclohexyl)hexan-1-amine.
What is the SMILES notation for N,3,5,5-tetramethyl-1-(3-methylsulfonylcyclohexyl)hexan-1-amine?
The canonical SMILES for N,3,5,5-tetramethyl-1-(3-methylsulfonylcyclohexyl)hexan-1-amine is CNC(CC(C)CC(C)(C)C)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of N,3,5,5-tetramethyl-1-(3-methylsulfonylcyclohexyl)hexan-1-amine?
The InChIKey is WAIUJMCQILUDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2S/c1-13(12-17(2,3)4)10-16(18-5)14-8-7-9-15(11-14)21(6,19)20/h13-16,18H,7-12H2,1-6H3.
What are the key properties of N,3,5,5-tetramethyl-1-(3-methylsulfonylcyclohexyl)hexan-1-amine?
N,3,5,5-tetramethyl-1-(3-methylsulfonylcyclohexyl)hexan-1-amine has a molecular weight of 317.54 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5,5-tetramethyl-1-(3-methylsulfonylcyclohexyl)hexan-1-amine is sourced from PubChem (CID 105014333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).