5-(2-ethylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide

C11H16N2O2S3 — CID 106270510

IUPAC5-(2-ethylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide
SMILESCCC1CCCN1S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C11H16N2O2S3/c1-2-8-4-3-7-13(8)18(14,15)10-6-5-9(17-10)11(12)16/h5-6,8H,2-4,7H2,1H3,(H2,12,16)
InChIKeyGREHUNQLMUWXNJ-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.95
Rot. Bonds4

About 5-(2-ethylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide

5-(2-ethylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide (PubChem CID 106270510) has the molecular formula C11H16N2O2S3 and a molecular weight of 304.46 g/mol. Its IUPAC name is 5-(2-ethylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide.

Molecular Properties

Compound Name5-(2-ethylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide
PubChem CID106270510
Molecular FormulaC11H16N2O2S3
Molecular Weight304.46 g/mol
Exact Mass304.04
IUPAC Name5-(2-ethylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide
SMILESCCC1CCCN1S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C11H16N2O2S3/c1-2-8-4-3-7-13(8)18(14,15)10-6-5-9(17-10)11(12)16/h5-6,8H,2-4,7H2,1H3,(H2,12,16)
InChIKeyGREHUNQLMUWXNJ-UHFFFAOYSA-N
XLogP1.95
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-ethylpiperidin-1-yl)sulfonylthiophene-2-carbothioamide
CID 106270307
5-(2-methylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide
CID 106270508
5-(2-methylazepan-1-yl)sulfonylthiophene-2-carbothioamide
CID 106271290
2-ethyl-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine
CID 110429024
1-(5-chlorothiophen-2-yl)sulfonyl-2-ethylpiperidine
CID 19682804
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylthiophene-2-carbothioamide
CID 106271931
methyl 1-(5-carbamothioylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 106271625
1-(5-ethylthiophen-2-yl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036482
1-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119991256
5-[(1-ethylpiperidin-4-yl)methylsulfamoyl]thiophene-2-carbothioamide
CID 106270897
3-(2-ethylpiperidin-1-yl)sulfonylpyridine-2-carbothioamide
CID 106596557
1-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 115316543

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide?
The IUPAC name of 5-(2-ethylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide (CID 106270510) is 5-(2-ethylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide.
What is the SMILES notation for 5-(2-ethylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide?
The canonical SMILES for 5-(2-ethylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide is CCC1CCCN1S(=O)(=O)c1ccc(C(N)=S)s1.
What is the InChIKey of 5-(2-ethylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide?
The InChIKey is GREHUNQLMUWXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S3/c1-2-8-4-3-7-13(8)18(14,15)10-6-5-9(17-10)11(12)16/h5-6,8H,2-4,7H2,1H3,(H2,12,16).
What are the key properties of 5-(2-ethylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide?
5-(2-ethylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide has a molecular weight of 304.46 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide is sourced from PubChem (CID 106270510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).