N-methyl-N-propyl-4-sulfanylthiophene-2-carboxamide

C9H13NOS2 — CID 107022451

IUPACN-methyl-N-propyl-4-sulfanylthiophene-2-carboxamide
SMILESCCCN(C)C(=O)c1cc(S)cs1
InChIInChI=1S/C9H13NOS2/c1-3-4-10(2)9(11)8-5-7(12)6-13-8/h5-6,12H,3-4H2,1-2H3
InChIKeyLQKQJRVLKQMZBV-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.52
Rot. Bonds3

About N-methyl-N-propyl-4-sulfanylthiophene-2-carboxamide

N-methyl-N-propyl-4-sulfanylthiophene-2-carboxamide (PubChem CID 107022451) has the molecular formula C9H13NOS2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-methyl-N-propyl-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-propyl-4-sulfanylthiophene-2-carboxamide
PubChem CID107022451
Molecular FormulaC9H13NOS2
Molecular Weight215.34 g/mol
Exact Mass215.04
IUPAC NameN-methyl-N-propyl-4-sulfanylthiophene-2-carboxamide
SMILESCCCN(C)C(=O)c1cc(S)cs1
InChIInChI=1S/C9H13NOS2/c1-3-4-10(2)9(11)8-5-7(12)6-13-8/h5-6,12H,3-4H2,1-2H3
InChIKeyLQKQJRVLKQMZBV-UHFFFAOYSA-N
XLogP2.52
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-sulfanylthiophene-2-carboxamide
CID 107037295
N-methyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 107023496
N-(cyclopropylmethyl)-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107023704
N-benzyl-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107020696
N-ethyl-N-propan-2-yl-4-sulfanylthiophene-2-carboxamide
CID 107022373
N-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107021894
N-[(4-chlorophenyl)methyl]-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107024271
N-[(2-bromophenyl)methyl]-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107024313
N-ethyl-N-(2-fluorophenyl)-4-sulfanylthiophene-2-carboxamide
CID 107027791
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107028742
N-[5-(diethylamino)pentan-2-yl]-4-sulfanylthiophene-2-carboxamide
CID 107020632
butan-2-yl 4-sulfanylthiophene-2-carboxylate
CID 107018189

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propyl-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-methyl-N-propyl-4-sulfanylthiophene-2-carboxamide (CID 107022451) is N-methyl-N-propyl-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-propyl-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-propyl-4-sulfanylthiophene-2-carboxamide is CCCN(C)C(=O)c1cc(S)cs1.
What is the InChIKey of N-methyl-N-propyl-4-sulfanylthiophene-2-carboxamide?
The InChIKey is LQKQJRVLKQMZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS2/c1-3-4-10(2)9(11)8-5-7(12)6-13-8/h5-6,12H,3-4H2,1-2H3.
What are the key properties of N-methyl-N-propyl-4-sulfanylthiophene-2-carboxamide?
N-methyl-N-propyl-4-sulfanylthiophene-2-carboxamide has a molecular weight of 215.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propyl-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107022451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).