2-[ethyl(2-thiophen-2-ylethyl)amino]ethanethioamide

C10H16N2S2 — CID 63775676

IUPAC2-[ethyl(2-thiophen-2-ylethyl)amino]ethanethioamide
SMILESCCN(CCc1cccs1)CC(N)=S
InChIInChI=1S/C10H16N2S2/c1-2-12(8-10(11)13)6-5-9-4-3-7-14-9/h3-4,7H,2,5-6,8H2,1H3,(H2,11,13)
InChIKeyNCFDMTKLPMDNPM-UHFFFAOYSA-N
MW228.39 g/mol
LogP1.90
Rot. Bonds6

About 2-[ethyl(2-thiophen-2-ylethyl)amino]ethanethioamide

2-[ethyl(2-thiophen-2-ylethyl)amino]ethanethioamide (PubChem CID 63775676) has the molecular formula C10H16N2S2 and a molecular weight of 228.39 g/mol. Its IUPAC name is 2-[ethyl(2-thiophen-2-ylethyl)amino]ethanethioamide.

Molecular Properties

Compound Name2-[ethyl(2-thiophen-2-ylethyl)amino]ethanethioamide
PubChem CID63775676
Molecular FormulaC10H16N2S2
Molecular Weight228.39 g/mol
Exact Mass228.08
IUPAC Name2-[ethyl(2-thiophen-2-ylethyl)amino]ethanethioamide
SMILESCCN(CCc1cccs1)CC(N)=S
InChIInChI=1S/C10H16N2S2/c1-2-12(8-10(11)13)6-5-9-4-3-7-14-9/h3-4,7H,2,5-6,8H2,1H3,(H2,11,13)
InChIKeyNCFDMTKLPMDNPM-UHFFFAOYSA-N
XLogP1.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylbutanethioamide
CID 65249134
3-[ethyl(2-thiophen-2-ylethyl)amino]-2-methylpropanoic acid
CID 63774209
2-[carboxymethyl(2-thiophen-2-ylethyl)amino]acetic acid
CID 63775158
N'-ethyl-N-propan-2-yl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 63774752
5-[[ethyl(2-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898756
3-[ethyl(thiophen-2-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 61436828
5-[[ethyl(2-thiophen-2-ylethyl)amino]methyl]pyridin-2-amine;hydrochloride
CID 75509584
4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanethioamide
CID 79476073
5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carbothioamide
CID 113320985
4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol
CID 61437450
2-[methyl(2-thiophen-2-ylethyl)amino]ethanimidamide
CID 79476605
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-thiophen-2-ylethyl)amino]ethanethioamide?
The IUPAC name of 2-[ethyl(2-thiophen-2-ylethyl)amino]ethanethioamide (CID 63775676) is 2-[ethyl(2-thiophen-2-ylethyl)amino]ethanethioamide.
What is the SMILES notation for 2-[ethyl(2-thiophen-2-ylethyl)amino]ethanethioamide?
The canonical SMILES for 2-[ethyl(2-thiophen-2-ylethyl)amino]ethanethioamide is CCN(CCc1cccs1)CC(N)=S.
What is the InChIKey of 2-[ethyl(2-thiophen-2-ylethyl)amino]ethanethioamide?
The InChIKey is NCFDMTKLPMDNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S2/c1-2-12(8-10(11)13)6-5-9-4-3-7-14-9/h3-4,7H,2,5-6,8H2,1H3,(H2,11,13).
What are the key properties of 2-[ethyl(2-thiophen-2-ylethyl)amino]ethanethioamide?
2-[ethyl(2-thiophen-2-ylethyl)amino]ethanethioamide has a molecular weight of 228.39 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-thiophen-2-ylethyl)amino]ethanethioamide is sourced from PubChem (CID 63775676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).