N-methyl-2-naphthalen-2-ylsulfanylcyclohexan-1-amine

C17H21NS — CID 64648280

IUPACN-methyl-2-naphthalen-2-ylsulfanylcyclohexan-1-amine
SMILESCNC1CCCCC1Sc1ccc2ccccc2c1
InChIInChI=1S/C17H21NS/c1-18-16-8-4-5-9-17(16)19-15-11-10-13-6-2-3-7-14(13)12-15/h2-3,6-7,10-12,16-18H,4-5,8-9H2,1H3
InChIKeyHUZMPUGYBZXUIK-UHFFFAOYSA-N
MW271.43 g/mol
LogP4.46
Rot. Bonds3

About N-methyl-2-naphthalen-2-ylsulfanylcyclohexan-1-amine

N-methyl-2-naphthalen-2-ylsulfanylcyclohexan-1-amine (PubChem CID 64648280) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-methyl-2-naphthalen-2-ylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-naphthalen-2-ylsulfanylcyclohexan-1-amine
PubChem CID64648280
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC NameN-methyl-2-naphthalen-2-ylsulfanylcyclohexan-1-amine
SMILESCNC1CCCCC1Sc1ccc2ccccc2c1
InChIInChI=1S/C17H21NS/c1-18-16-8-4-5-9-17(16)19-15-11-10-13-6-2-3-7-14(13)12-15/h2-3,6-7,10-12,16-18H,4-5,8-9H2,1H3
InChIKeyHUZMPUGYBZXUIK-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-2-naphthalen-2-ylsulfanylcyclohexan-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-methyl-2-naphthalen-2-ylsulfanylcyclohexan-1-amine?
The IUPAC name of N-methyl-2-naphthalen-2-ylsulfanylcyclohexan-1-amine (CID 64648280) is N-methyl-2-naphthalen-2-ylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-naphthalen-2-ylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-methyl-2-naphthalen-2-ylsulfanylcyclohexan-1-amine is CNC1CCCCC1Sc1ccc2ccccc2c1.
What is the InChIKey of N-methyl-2-naphthalen-2-ylsulfanylcyclohexan-1-amine?
The InChIKey is HUZMPUGYBZXUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-18-16-8-4-5-9-17(16)19-15-11-10-13-6-2-3-7-14(13)12-15/h2-3,6-7,10-12,16-18H,4-5,8-9H2,1H3.
What are the key properties of N-methyl-2-naphthalen-2-ylsulfanylcyclohexan-1-amine?
N-methyl-2-naphthalen-2-ylsulfanylcyclohexan-1-amine has a molecular weight of 271.43 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-naphthalen-2-ylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 64648280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).