(3S)-3-(furan-2-yl)pyrrolidine-1-carbothioamide

C9H12N2OS — CID 134368012

IUPAC(3S)-3-(furan-2-yl)pyrrolidine-1-carbothioamide
SMILESNC(=S)N1CC[C@H](c2ccco2)C1
InChIInChI=1S/C9H12N2OS/c10-9(13)11-4-3-7(6-11)8-2-1-5-12-8/h1-2,5,7H,3-4,6H2,(H2,10,13)/t7-/m0/s1
InChIKeyGBZVISCRGLCCED-ZETCQYMHSA-N
MW196.28 g/mol
LogP1.31
Rot. Bonds1

About (3S)-3-(furan-2-yl)pyrrolidine-1-carbothioamide

(3S)-3-(furan-2-yl)pyrrolidine-1-carbothioamide (PubChem CID 134368012) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is (3S)-3-(furan-2-yl)pyrrolidine-1-carbothioamide.

Molecular Properties

Compound Name(3S)-3-(furan-2-yl)pyrrolidine-1-carbothioamide
PubChem CID134368012
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name(3S)-3-(furan-2-yl)pyrrolidine-1-carbothioamide
SMILESNC(=S)N1CC[C@H](c2ccco2)C1
InChIInChI=1S/C9H12N2OS/c10-9(13)11-4-3-7(6-11)8-2-1-5-12-8/h1-2,5,7H,3-4,6H2,(H2,10,13)/t7-/m0/s1
InChIKeyGBZVISCRGLCCED-ZETCQYMHSA-N
XLogP1.31
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-yl)pyrrolidine-1-carboxamide
CID 131041480
[3-(furan-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 110603786
[3-(furan-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 110667356
methyl 4-[3-(furan-2-yl)pyrrolidin-1-yl]-4-oxobutanoate
CID 110667373
[3-(furan-2-yl)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110667359
[3-(furan-2-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 110423788
3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 110667360
3-(furan-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyrrolidine-1-carboxamide
CID 154851372
(3-bromo-4-methoxyphenyl)-[3-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 110424514
3-(3-methylphenyl)pyrrolidine-1-carbothioamide
CID 134367760
(3-bromo-5-fluorophenyl)-[3-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 110612224
2-(4-fluorophenyl)-1-[3-(furan-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 110619870

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(furan-2-yl)pyrrolidine-1-carbothioamide?
The IUPAC name of (3S)-3-(furan-2-yl)pyrrolidine-1-carbothioamide (CID 134368012) is (3S)-3-(furan-2-yl)pyrrolidine-1-carbothioamide.
What is the SMILES notation for (3S)-3-(furan-2-yl)pyrrolidine-1-carbothioamide?
The canonical SMILES for (3S)-3-(furan-2-yl)pyrrolidine-1-carbothioamide is NC(=S)N1CC[C@H](c2ccco2)C1.
What is the InChIKey of (3S)-3-(furan-2-yl)pyrrolidine-1-carbothioamide?
The InChIKey is GBZVISCRGLCCED-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12N2OS/c10-9(13)11-4-3-7(6-11)8-2-1-5-12-8/h1-2,5,7H,3-4,6H2,(H2,10,13)/t7-/m0/s1.
What are the key properties of (3S)-3-(furan-2-yl)pyrrolidine-1-carbothioamide?
(3S)-3-(furan-2-yl)pyrrolidine-1-carbothioamide has a molecular weight of 196.28 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(furan-2-yl)pyrrolidine-1-carbothioamide is sourced from PubChem (CID 134368012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).