N-(1-cyclopropylethyl)-4-sulfanylthiophene-2-carboxamide

C10H13NOS2 — CID 107022853

IUPACN-(1-cyclopropylethyl)-4-sulfanylthiophene-2-carboxamide
SMILESCC(NC(=O)c1cc(S)cs1)C1CC1
InChIInChI=1S/C10H13NOS2/c1-6(7-2-3-7)11-10(12)9-4-8(13)5-14-9/h4-7,13H,2-3H2,1H3,(H,11,12)
InChIKeyJILAFSZDRGBEON-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.57
Rot. Bonds3

About N-(1-cyclopropylethyl)-4-sulfanylthiophene-2-carboxamide

N-(1-cyclopropylethyl)-4-sulfanylthiophene-2-carboxamide (PubChem CID 107022853) has the molecular formula C10H13NOS2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-4-sulfanylthiophene-2-carboxamide
PubChem CID107022853
Molecular FormulaC10H13NOS2
Molecular Weight227.35 g/mol
Exact Mass227.04
IUPAC NameN-(1-cyclopropylethyl)-4-sulfanylthiophene-2-carboxamide
SMILESCC(NC(=O)c1cc(S)cs1)C1CC1
InChIInChI=1S/C10H13NOS2/c1-6(7-2-3-7)11-10(12)9-4-8(13)5-14-9/h4-7,13H,2-3H2,1H3,(H,11,12)
InChIKeyJILAFSZDRGBEON-UHFFFAOYSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.57
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

4-amino-N-(1-cyclopropylethyl)thiophene-2-carboxamide
CID 130815872
N-(1-hydroxy-3-methylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide
CID 107032032
N-(2-methylpentan-3-yl)-4-sulfanylthiophene-2-carboxamide
CID 107025092
N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107023129
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107025593
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-sulfanylthiophene-2-carboxamide
CID 107025304
N-(4-phenylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide
CID 107026936
3,5-diamino-N-(1-cyclopropylethyl)benzamide
CID 61094229
N-[5-(diethylamino)pentan-2-yl]-4-sulfanylthiophene-2-carboxamide
CID 107020632
N-(2-methyloxolan-3-yl)-4-sulfanylthiophene-2-carboxamide
CID 107033632
N-(cyclopentylmethyl)-4-sulfanylthiophene-2-carboxamide
CID 107022608
N-(1-cyclopropylethyl)-5-nitrothiophene-3-carboxamide
CID 47242608

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-4-sulfanylthiophene-2-carboxamide (CID 107022853) is N-(1-cyclopropylethyl)-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-4-sulfanylthiophene-2-carboxamide is CC(NC(=O)c1cc(S)cs1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-4-sulfanylthiophene-2-carboxamide?
The InChIKey is JILAFSZDRGBEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS2/c1-6(7-2-3-7)11-10(12)9-4-8(13)5-14-9/h4-7,13H,2-3H2,1H3,(H,11,12).
What are the key properties of N-(1-cyclopropylethyl)-4-sulfanylthiophene-2-carboxamide?
N-(1-cyclopropylethyl)-4-sulfanylthiophene-2-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107022853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).