3-[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]-2-methylpropanethioamide

C14H20N2S2 — CID 79222195

IUPAC3-[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]-2-methylpropanethioamide
SMILESCC(CN(C)CC1Cc2ccccc2S1)C(N)=S
InChIInChI=1S/C14H20N2S2/c1-10(14(15)17)8-16(2)9-12-7-11-5-3-4-6-13(11)18-12/h3-6,10,12H,7-9H2,1-2H3,(H2,15,17)
InChIKeyKEOOACGBIMLNPH-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.56
Rot. Bonds5

About 3-[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]-2-methylpropanethioamide

3-[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]-2-methylpropanethioamide (PubChem CID 79222195) has the molecular formula C14H20N2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is 3-[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]-2-methylpropanethioamide.

Molecular Properties

Compound Name3-[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]-2-methylpropanethioamide
PubChem CID79222195
Molecular FormulaC14H20N2S2
Molecular Weight280.46 g/mol
Exact Mass280.11
IUPAC Name3-[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]-2-methylpropanethioamide
SMILESCC(CN(C)CC1Cc2ccccc2S1)C(N)=S
InChIInChI=1S/C14H20N2S2/c1-10(14(15)17)8-16(2)9-12-7-11-5-3-4-6-13(11)18-12/h3-6,10,12H,7-9H2,1-2H3,(H2,15,17)
InChIKeyKEOOACGBIMLNPH-UHFFFAOYSA-N
XLogP2.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]-2-methylpropanethioamide 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-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79214197
1-[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]-2-methylpropan-2-ol
CID 79389543
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-3-amine
CID 79319379
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylpropan-2-amine
CID 79318825
1-[[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol
CID 114952497
N'-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 79221909
2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)propanamide
CID 79214050
3-[2,3-dihydro-1-benzothiophen-2-ylmethyl(2-methylpropyl)amino]propanimidamide
CID 79222743
4-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-N-methylbenzene-1,4-diamine
CID 79222368
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106892918
N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79214789
ethyl 2-[2,3-dihydro-1-benzothiophen-2-ylmethyl(propan-2-yl)amino]acetate
CID 79228358

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]-2-methylpropanethioamide?
The IUPAC name of 3-[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]-2-methylpropanethioamide (CID 79222195) is 3-[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]-2-methylpropanethioamide.
What is the SMILES notation for 3-[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]-2-methylpropanethioamide?
The canonical SMILES for 3-[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]-2-methylpropanethioamide is CC(CN(C)CC1Cc2ccccc2S1)C(N)=S.
What is the InChIKey of 3-[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]-2-methylpropanethioamide?
The InChIKey is KEOOACGBIMLNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S2/c1-10(14(15)17)8-16(2)9-12-7-11-5-3-4-6-13(11)18-12/h3-6,10,12H,7-9H2,1-2H3,(H2,15,17).
What are the key properties of 3-[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]-2-methylpropanethioamide?
3-[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]-2-methylpropanethioamide has a molecular weight of 280.46 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]-2-methylpropanethioamide is sourced from PubChem (CID 79222195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).