2-(3-methylcyclohexyl)sulfanyl-2-thiophen-2-ylethanamine

C13H21NS2 — CID 62721715

IUPAC2-(3-methylcyclohexyl)sulfanyl-2-thiophen-2-ylethanamine
SMILESCC1CCCC(SC(CN)c2cccs2)C1
InChIInChI=1S/C13H21NS2/c1-10-4-2-5-11(8-10)16-13(9-14)12-6-3-7-15-12/h3,6-7,10-11,13H,2,4-5,8-9,14H2,1H3
InChIKeyIDKQBURNOMDDPJ-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.06
Rot. Bonds4

About 2-(3-methylcyclohexyl)sulfanyl-2-thiophen-2-ylethanamine

2-(3-methylcyclohexyl)sulfanyl-2-thiophen-2-ylethanamine (PubChem CID 62721715) has the molecular formula C13H21NS2 and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)sulfanyl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)sulfanyl-2-thiophen-2-ylethanamine
PubChem CID62721715
Molecular FormulaC13H21NS2
Molecular Weight255.45 g/mol
Exact Mass255.11
IUPAC Name2-(3-methylcyclohexyl)sulfanyl-2-thiophen-2-ylethanamine
SMILESCC1CCCC(SC(CN)c2cccs2)C1
InChIInChI=1S/C13H21NS2/c1-10-4-2-5-11(8-10)16-13(9-14)12-6-3-7-15-12/h3,6-7,10-11,13H,2,4-5,8-9,14H2,1H3
InChIKeyIDKQBURNOMDDPJ-UHFFFAOYSA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-methylcyclohexyl)sulfanyl-2-thiophen-2-ylethanamine 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

3-(3-methylcyclohexyl)sulfanyl-3-phenylpropan-1-amine
CID 62778890
2-[chloro-(3-methylcyclohexyl)methyl]thiophene
CID 131021308
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanamine
CID 16642687
2-amino-1-(3-methylcyclohexyl)-2-thiophen-2-ylethanone
CID 116601534
(3-methylcyclohexyl)methyl 2-amino-2-thiophen-2-ylacetate
CID 114197190
3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 55194083
2-cyclopentyl-2-thiophen-2-ylethanamine
CID 55269689
[2-chloro-6-(3-methylcyclohexyl)sulfanylphenyl]methanamine
CID 62720819
3-methyl-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine
CID 43224426
1-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)propan-2-amine
CID 63537922
2-methyl-6-(3-methylcyclohexyl)sulfanylaniline
CID 79147333
2-cyclopentylsulfanyl-2-pyridin-4-ylethanamine
CID 63115195

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)sulfanyl-2-thiophen-2-ylethanamine?
The IUPAC name of 2-(3-methylcyclohexyl)sulfanyl-2-thiophen-2-ylethanamine (CID 62721715) is 2-(3-methylcyclohexyl)sulfanyl-2-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(3-methylcyclohexyl)sulfanyl-2-thiophen-2-ylethanamine?
The canonical SMILES for 2-(3-methylcyclohexyl)sulfanyl-2-thiophen-2-ylethanamine is CC1CCCC(SC(CN)c2cccs2)C1.
What is the InChIKey of 2-(3-methylcyclohexyl)sulfanyl-2-thiophen-2-ylethanamine?
The InChIKey is IDKQBURNOMDDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS2/c1-10-4-2-5-11(8-10)16-13(9-14)12-6-3-7-15-12/h3,6-7,10-11,13H,2,4-5,8-9,14H2,1H3.
What are the key properties of 2-(3-methylcyclohexyl)sulfanyl-2-thiophen-2-ylethanamine?
2-(3-methylcyclohexyl)sulfanyl-2-thiophen-2-ylethanamine has a molecular weight of 255.45 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)sulfanyl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 62721715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).