N-sulfanylthiophene-2-carboxamide

C5H5NOS2 — CID 87476143

IUPACN-sulfanylthiophene-2-carboxamide
SMILESO=C(NS)c1cccs1
InChIInChI=1S/C5H5NOS2/c7-5(6-8)4-2-1-3-9-4/h1-3,8H,(H,6,7)
InChIKeySOODCFPQDGJUKK-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.32
Rot. Bonds1

About N-sulfanylthiophene-2-carboxamide

N-sulfanylthiophene-2-carboxamide (PubChem CID 87476143) has the molecular formula C5H5NOS2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-sulfanylthiophene-2-carboxamide
PubChem CID87476143
Molecular FormulaC5H5NOS2
Molecular Weight159.23 g/mol
Exact Mass158.98
IUPAC NameN-sulfanylthiophene-2-carboxamide
SMILESO=C(NS)c1cccs1
InChIInChI=1S/C5H5NOS2/c7-5(6-8)4-2-1-3-9-4/h1-3,8H,(H,6,7)
InChIKeySOODCFPQDGJUKK-UHFFFAOYSA-N
XLogP1.32
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-formylthiophene-2-carboxamide
CID 2771336
N-(4-sulfanylphenyl)thiophene-2-carboxamide
CID 27126639
N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]thiophene-2-carboxamide
CID 794769
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
(2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoic acid
CID 54554377
N-(thiophene-2-carboximidoyl)thiophene-2-carboxamide
CID 171130036
1-amino-3-(thiophene-2-carbonylamino)urea
CID 141065921
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
N-(dicyanomethyl)thiophene-2-carboxamide
CID 22299074
N-[(E)-2,2,2-trifluoroethylideneamino]thiophene-2-carboxamide
CID 177392116
thiophene-2-carboxylic acid;dihydrochloride
CID 142681507

Frequently Asked Questions

What is the IUPAC name of N-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-sulfanylthiophene-2-carboxamide (CID 87476143) is N-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-sulfanylthiophene-2-carboxamide is O=C(NS)c1cccs1.
What is the InChIKey of N-sulfanylthiophene-2-carboxamide?
The InChIKey is SOODCFPQDGJUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NOS2/c7-5(6-8)4-2-1-3-9-4/h1-3,8H,(H,6,7).
What are the key properties of N-sulfanylthiophene-2-carboxamide?
N-sulfanylthiophene-2-carboxamide has a molecular weight of 159.23 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 87476143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).