3-ethylsulfinyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine

C15H25NOS2 — CID 75428576

IUPAC3-ethylsulfinyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine
SMILESCCS(=O)C1CCCC(NC(C)Cc2ccsc2)C1
InChIInChI=1S/C15H25NOS2/c1-3-19(17)15-6-4-5-14(10-15)16-12(2)9-13-7-8-18-11-13/h7-8,11-12,14-16H,3-6,9-10H2,1-2H3
InChIKeyTWDBTBOCGPYXIA-UHFFFAOYSA-N
MW299.50 g/mol
LogP3.35
Rot. Bonds6

About 3-ethylsulfinyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine

3-ethylsulfinyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine (PubChem CID 75428576) has the molecular formula C15H25NOS2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 3-ethylsulfinyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-ethylsulfinyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine
PubChem CID75428576
Molecular FormulaC15H25NOS2
Molecular Weight299.50 g/mol
Exact Mass299.14
IUPAC Name3-ethylsulfinyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine
SMILESCCS(=O)C1CCCC(NC(C)Cc2ccsc2)C1
InChIInChI=1S/C15H25NOS2/c1-3-19(17)15-6-4-5-14(10-15)16-12(2)9-13-7-8-18-11-13/h7-8,11-12,14-16H,3-6,9-10H2,1-2H3
InChIKeyTWDBTBOCGPYXIA-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethylsulfinyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexan-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

Related Compounds

1-(3-ethylsulfinylcyclohexyl)-2-methyl-3-(thiophen-3-ylmethyl)guanidine
CID 109439671
trans-(1R,3R)-3-[(R)-ethylsulfinyl]-N-[(2R)-1-thiophen-2-ylbutan-2-yl]cyclohexan-1-amine
CID 124856722
1-ethyl-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine
CID 54953167
2-(1-thiophen-3-ylpropan-2-ylamino)cyclopentan-1-ol
CID 61473631
1-(2-methylpropyl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine
CID 103777050
N-(3-ethylsulfinylcyclohexyl)-2-thiophen-3-ylquinazolin-4-amine
CID 133338088
N-(1-thiophen-3-ylpropan-2-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 61473059
N-cyclopentyl-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 54953333
3-(1-thiophen-3-ylpropan-2-ylamino)azepan-2-one
CID 54953284
N-(1-thiophen-3-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine
CID 79895083
N-(1-thiophen-3-ylpropan-2-yl)formamide
CID 64992100
4-[2-(cyclobutylamino)propyl]phenol
CID 115494316

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfinyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine?
The IUPAC name of 3-ethylsulfinyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine (CID 75428576) is 3-ethylsulfinyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-ethylsulfinyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 3-ethylsulfinyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine is CCS(=O)C1CCCC(NC(C)Cc2ccsc2)C1.
What is the InChIKey of 3-ethylsulfinyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine?
The InChIKey is TWDBTBOCGPYXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS2/c1-3-19(17)15-6-4-5-14(10-15)16-12(2)9-13-7-8-18-11-13/h7-8,11-12,14-16H,3-6,9-10H2,1-2H3.
What are the key properties of 3-ethylsulfinyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine?
3-ethylsulfinyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine has a molecular weight of 299.50 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfinyl-N-(1-thiophen-3-ylpropan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 75428576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).