2-methyl-N-(4-phenylcyclohexyl)thiolan-3-amine

C17H25NS — CID 102672829

IUPAC2-methyl-N-(4-phenylcyclohexyl)thiolan-3-amine
SMILESCC1SCCC1NC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H25NS/c1-13-17(11-12-19-13)18-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-6,13,15-18H,7-12H2,1H3
InChIKeyWXMDMVRKNJXVFY-UHFFFAOYSA-N
MW275.46 g/mol
LogP4.20
Rot. Bonds3

About 2-methyl-N-(4-phenylcyclohexyl)thiolan-3-amine

2-methyl-N-(4-phenylcyclohexyl)thiolan-3-amine (PubChem CID 102672829) has the molecular formula C17H25NS and a molecular weight of 275.46 g/mol. Its IUPAC name is 2-methyl-N-(4-phenylcyclohexyl)thiolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(4-phenylcyclohexyl)thiolan-3-amine
PubChem CID102672829
Molecular FormulaC17H25NS
Molecular Weight275.46 g/mol
Exact Mass275.17
IUPAC Name2-methyl-N-(4-phenylcyclohexyl)thiolan-3-amine
SMILESCC1SCCC1NC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H25NS/c1-13-17(11-12-19-13)18-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-6,13,15-18H,7-12H2,1H3
InChIKeyWXMDMVRKNJXVFY-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-(4-phenylcyclohexyl)thiolan-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-(2,3-dimethylcyclopentyl)-4-phenylcyclohexan-1-amine
CID 64908026
4-N-(4-phenylcyclohexyl)cyclohexane-1,4-diamine
CID 62314935
1-benzyl-N-(2-methylthiolan-3-yl)pyrrolidin-3-amine
CID 102671339
2-ethyl-N-(4-phenylcyclohexyl)cyclohexan-1-amine
CID 43434154
1-methyl-N-(4-phenylcyclohexyl)piperidin-4-amine
CID 43215929
benzene;cyclopropylbenzene
CID 144638417
1,2-dimethyl-N-(4-phenylcyclohexyl)piperidin-4-amine
CID 81297051
2,2-dimethyl-N-(4-phenylcyclohexyl)-1,3-dioxan-5-amine
CID 104585329
N-(4-phenylcyclohexyl)azepan-4-amine
CID 103981014
2-methyl-N-(3-phenylcyclobutyl)cyclohexan-1-amine
CID 43632161
4-phenylthiane
CID 601191
cyclopropylbenzene;ethylhydrazine
CID 22346635

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-phenylcyclohexyl)thiolan-3-amine?
The IUPAC name of 2-methyl-N-(4-phenylcyclohexyl)thiolan-3-amine (CID 102672829) is 2-methyl-N-(4-phenylcyclohexyl)thiolan-3-amine.
What is the SMILES notation for 2-methyl-N-(4-phenylcyclohexyl)thiolan-3-amine?
The canonical SMILES for 2-methyl-N-(4-phenylcyclohexyl)thiolan-3-amine is CC1SCCC1NC1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-methyl-N-(4-phenylcyclohexyl)thiolan-3-amine?
The InChIKey is WXMDMVRKNJXVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NS/c1-13-17(11-12-19-13)18-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-6,13,15-18H,7-12H2,1H3.
What are the key properties of 2-methyl-N-(4-phenylcyclohexyl)thiolan-3-amine?
2-methyl-N-(4-phenylcyclohexyl)thiolan-3-amine has a molecular weight of 275.46 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-phenylcyclohexyl)thiolan-3-amine is sourced from PubChem (CID 102672829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).