2,2-dimethyl-3-thiophen-2-ylpropanethioamide

C9H13NS2 — CID 174989051

IUPAC2,2-dimethyl-3-thiophen-2-ylpropanethioamide
SMILESCC(C)(Cc1cccs1)C(N)=S
InChIInChI=1S/C9H13NS2/c1-9(2,8(10)11)6-7-4-3-5-12-7/h3-5H,6H2,1-2H3,(H2,10,11)
InChIKeyHOXBWPXOMBLSPC-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.60
Rot. Bonds3

About 2,2-dimethyl-3-thiophen-2-ylpropanethioamide

2,2-dimethyl-3-thiophen-2-ylpropanethioamide (PubChem CID 174989051) has the molecular formula C9H13NS2 and a molecular weight of 199.34 g/mol. Its IUPAC name is 2,2-dimethyl-3-thiophen-2-ylpropanethioamide.

Molecular Properties

Compound Name2,2-dimethyl-3-thiophen-2-ylpropanethioamide
PubChem CID174989051
Molecular FormulaC9H13NS2
Molecular Weight199.34 g/mol
Exact Mass199.05
IUPAC Name2,2-dimethyl-3-thiophen-2-ylpropanethioamide
SMILESCC(C)(Cc1cccs1)C(N)=S
InChIInChI=1S/C9H13NS2/c1-9(2,8(10)11)6-7-4-3-5-12-7/h3-5H,6H2,1-2H3,(H2,10,11)
InChIKeyHOXBWPXOMBLSPC-UHFFFAOYSA-N
XLogP2.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-thiophen-2-ylpropan-2-amine
CID 13096683
4-[ethyl(thiophen-2-ylmethyl)amino]-2,2-dimethylbutanethioamide
CID 65249134
2-amino-2-methyl-3-thiophen-2-ylpropanenitrile
CID 82074760
3-amino-3-methyl-4-thiophen-2-ylbutanoic acid
CID 83531714
3-fluoro-3-methyl-4-thiophen-2-ylbutan-2-amine
CID 130574546
3-amino-3-methyl-1-thiophen-2-ylbutan-2-one
CID 57051031
2-(2-fluorophenyl)-1-thiophen-2-ylpropan-2-amine
CID 62621819
3,3-dimethyl-2-(thiophen-2-ylmethyl)butan-1-ol
CID 83138477
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-thiophen-2-ylbutanamide
CID 61120765
2-aminooxy-3,3-dimethyl-4-thiophen-2-ylbutanoic acid
CID 174290905
2-(4-methoxyphenyl)-1-thiophen-2-ylpropan-2-ol
CID 65145347
1-(4-fluorophenyl)-2-methyl-3-thiophen-2-ylpropan-2-ol
CID 114833192

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-thiophen-2-ylpropanethioamide?
The IUPAC name of 2,2-dimethyl-3-thiophen-2-ylpropanethioamide (CID 174989051) is 2,2-dimethyl-3-thiophen-2-ylpropanethioamide.
What is the SMILES notation for 2,2-dimethyl-3-thiophen-2-ylpropanethioamide?
The canonical SMILES for 2,2-dimethyl-3-thiophen-2-ylpropanethioamide is CC(C)(Cc1cccs1)C(N)=S.
What is the InChIKey of 2,2-dimethyl-3-thiophen-2-ylpropanethioamide?
The InChIKey is HOXBWPXOMBLSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS2/c1-9(2,8(10)11)6-7-4-3-5-12-7/h3-5H,6H2,1-2H3,(H2,10,11).
What are the key properties of 2,2-dimethyl-3-thiophen-2-ylpropanethioamide?
2,2-dimethyl-3-thiophen-2-ylpropanethioamide has a molecular weight of 199.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-thiophen-2-ylpropanethioamide is sourced from PubChem (CID 174989051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).