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

C10H14N2O2S3 — CID 106270508

IUPAC5-(2-methylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide
SMILESCC1CCCN1S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C10H14N2O2S3/c1-7-3-2-6-12(7)17(13,14)9-5-4-8(16-9)10(11)15/h4-5,7H,2-3,6H2,1H3,(H2,11,15)
InChIKeyDIAXCVJNIHTCQJ-UHFFFAOYSA-N
MW290.44 g/mol
LogP1.56
Rot. Bonds3

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

5-(2-methylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide (PubChem CID 106270508) has the molecular formula C10H14N2O2S3 and a molecular weight of 290.44 g/mol. Its IUPAC name is 5-(2-methylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide.

Molecular Properties

Compound Name5-(2-methylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide
PubChem CID106270508
Molecular FormulaC10H14N2O2S3
Molecular Weight290.44 g/mol
Exact Mass290.02
IUPAC Name5-(2-methylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide
SMILESCC1CCCN1S(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C10H14N2O2S3/c1-7-3-2-6-12(7)17(13,14)9-5-4-8(16-9)10(11)15/h4-5,7H,2-3,6H2,1H3,(H2,11,15)
InChIKeyDIAXCVJNIHTCQJ-UHFFFAOYSA-N
XLogP1.56
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 51.56
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-methylazepan-1-yl)sulfonylthiophene-2-carbothioamide
CID 106271290
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylthiophene-2-carbothioamide
CID 106271931
5-(2-ethylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide
CID 106270510
5-(2-ethylpiperidin-1-yl)sulfonylthiophene-2-carbothioamide
CID 106270307
2-[5-(2-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 54882469
1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine
CID 110728237
methyl 1-(5-carbamothioylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 106271625
N-[1-(5-carbamothioylthiophen-2-yl)sulfonylpiperidin-4-yl]acetamide
CID 106271713
5-[2-(methylcarbamoyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61028177
5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]thiophene-2-carboxylic acid
CID 102725638
5-[(1-ethylpiperidin-4-yl)methylsulfamoyl]thiophene-2-carbothioamide
CID 106270897
1-(5-ethylthiophen-2-yl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036482

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide?
The IUPAC name of 5-(2-methylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide (CID 106270508) is 5-(2-methylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide.
What is the SMILES notation for 5-(2-methylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide?
The canonical SMILES for 5-(2-methylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide is CC1CCCN1S(=O)(=O)c1ccc(C(N)=S)s1.
What is the InChIKey of 5-(2-methylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide?
The InChIKey is DIAXCVJNIHTCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S3/c1-7-3-2-6-12(7)17(13,14)9-5-4-8(16-9)10(11)15/h4-5,7H,2-3,6H2,1H3,(H2,11,15).
What are the key properties of 5-(2-methylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide?
5-(2-methylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide has a molecular weight of 290.44 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide is sourced from PubChem (CID 106270508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).