2-[cyclopentyl(2,3-dihydro-1-benzothiophen-3-ylmethyl)amino]ethanethioamide

C16H22N2S2 — CID 79221101

IUPAC2-[cyclopentyl(2,3-dihydro-1-benzothiophen-3-ylmethyl)amino]ethanethioamide
SMILESNC(=S)CN(CC1CSc2ccccc21)C1CCCC1
InChIInChI=1S/C16H22N2S2/c17-16(19)10-18(13-5-1-2-6-13)9-12-11-20-15-8-4-3-7-14(12)15/h3-4,7-8,12-13H,1-2,5-6,9-11H2,(H2,17,19)
InChIKeyNBJUTTXKBXGKCA-UHFFFAOYSA-N
MW306.50 g/mol
LogP3.41
Rot. Bonds5

About 2-[cyclopentyl(2,3-dihydro-1-benzothiophen-3-ylmethyl)amino]ethanethioamide

2-[cyclopentyl(2,3-dihydro-1-benzothiophen-3-ylmethyl)amino]ethanethioamide (PubChem CID 79221101) has the molecular formula C16H22N2S2 and a molecular weight of 306.50 g/mol. Its IUPAC name is 2-[cyclopentyl(2,3-dihydro-1-benzothiophen-3-ylmethyl)amino]ethanethioamide.

Molecular Properties

Compound Name2-[cyclopentyl(2,3-dihydro-1-benzothiophen-3-ylmethyl)amino]ethanethioamide
PubChem CID79221101
Molecular FormulaC16H22N2S2
Molecular Weight306.50 g/mol
Exact Mass306.12
IUPAC Name2-[cyclopentyl(2,3-dihydro-1-benzothiophen-3-ylmethyl)amino]ethanethioamide
SMILESNC(=S)CN(CC1CSc2ccccc21)C1CCCC1
InChIInChI=1S/C16H22N2S2/c17-16(19)10-18(13-5-1-2-6-13)9-12-11-20-15-8-4-3-7-14(12)15/h3-4,7-8,12-13H,1-2,5-6,9-11H2,(H2,17,19)
InChIKeyNBJUTTXKBXGKCA-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-[cyclopentyl(2,3-dihydro-1-benzothiophen-3-ylmethyl)amino]ethanethioamide 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-amino-2-sulfanylideneethyl)-N-cyclopentyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79211877
ethyl 2-[cyclopropyl(2,3-dihydro-1-benzothiophen-3-ylmethyl)amino]acetate
CID 79221523
N-(3-chloropropyl)-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclobutanamine
CID 102860429
N-butyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropanamine
CID 79315230
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclohexan-1-amine
CID 79221501
[(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol
CID 124511720
2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-methylethanamine
CID 79226851
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79211884
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-methyloxan-4-amine
CID 79320051
N'-cyclopentyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 79220623
2-[cyclopentyl(ethyl)amino]ethanethioamide
CID 43541169
methyl 2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(cyclopentyl)amino]acetate
CID 115536740

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(2,3-dihydro-1-benzothiophen-3-ylmethyl)amino]ethanethioamide?
The IUPAC name of 2-[cyclopentyl(2,3-dihydro-1-benzothiophen-3-ylmethyl)amino]ethanethioamide (CID 79221101) is 2-[cyclopentyl(2,3-dihydro-1-benzothiophen-3-ylmethyl)amino]ethanethioamide.
What is the SMILES notation for 2-[cyclopentyl(2,3-dihydro-1-benzothiophen-3-ylmethyl)amino]ethanethioamide?
The canonical SMILES for 2-[cyclopentyl(2,3-dihydro-1-benzothiophen-3-ylmethyl)amino]ethanethioamide is NC(=S)CN(CC1CSc2ccccc21)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(2,3-dihydro-1-benzothiophen-3-ylmethyl)amino]ethanethioamide?
The InChIKey is NBJUTTXKBXGKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S2/c17-16(19)10-18(13-5-1-2-6-13)9-12-11-20-15-8-4-3-7-14(12)15/h3-4,7-8,12-13H,1-2,5-6,9-11H2,(H2,17,19).
What are the key properties of 2-[cyclopentyl(2,3-dihydro-1-benzothiophen-3-ylmethyl)amino]ethanethioamide?
2-[cyclopentyl(2,3-dihydro-1-benzothiophen-3-ylmethyl)amino]ethanethioamide has a molecular weight of 306.50 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(2,3-dihydro-1-benzothiophen-3-ylmethyl)amino]ethanethioamide is sourced from PubChem (CID 79221101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).