furan-2-yl(pyrrolidin-1-yl)methanethione

C9H11NOS — CID 25148579

IUPACfuran-2-yl(pyrrolidin-1-yl)methanethione
SMILESS=C(c1ccco1)N1CCCC1
InChIInChI=1S/C9H11NOS/c12-9(8-4-3-7-11-8)10-5-1-2-6-10/h3-4,7H,1-2,5-6H2
InChIKeyBKZCGMWXJBMBOI-UHFFFAOYSA-N
MW181.26 g/mol
LogP2.05
Rot. Bonds1

About furan-2-yl(pyrrolidin-1-yl)methanethione

furan-2-yl(pyrrolidin-1-yl)methanethione (PubChem CID 25148579) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is furan-2-yl(pyrrolidin-1-yl)methanethione.

Molecular Properties

Compound Namefuran-2-yl(pyrrolidin-1-yl)methanethione
PubChem CID25148579
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Namefuran-2-yl(pyrrolidin-1-yl)methanethione
SMILESS=C(c1ccco1)N1CCCC1
InChIInChI=1S/C9H11NOS/c12-9(8-4-3-7-11-8)10-5-1-2-6-10/h3-4,7H,1-2,5-6H2
InChIKeyBKZCGMWXJBMBOI-UHFFFAOYSA-N
XLogP2.05
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azepan-1-yl(furan-2-yl)methanone
CID 5200992
N-(furan-2-carbonyl)pyrrolidine-1-carboxamide
CID 110865962
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958407
N'-(2-oxo-2-piperidin-1-ylacetyl)furan-2-carbohydrazide
CID 2263224
cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207
N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 60715665
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 1452094
1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 78789970
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823
N-[4-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 9035306
furan-2-yl-(3-phenylazepan-1-yl)methanone
CID 90608497
1-(5-fluorofuran-2-yl)ethanone;1-(furan-2-yl)ethanone;1-pyrrolidin-1-ylethanone
CID 158069465

Frequently Asked Questions

What is the IUPAC name of furan-2-yl(pyrrolidin-1-yl)methanethione?
The IUPAC name of furan-2-yl(pyrrolidin-1-yl)methanethione (CID 25148579) is furan-2-yl(pyrrolidin-1-yl)methanethione.
What is the SMILES notation for furan-2-yl(pyrrolidin-1-yl)methanethione?
The canonical SMILES for furan-2-yl(pyrrolidin-1-yl)methanethione is S=C(c1ccco1)N1CCCC1.
What is the InChIKey of furan-2-yl(pyrrolidin-1-yl)methanethione?
The InChIKey is BKZCGMWXJBMBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c12-9(8-4-3-7-11-8)10-5-1-2-6-10/h3-4,7H,1-2,5-6H2.
What are the key properties of furan-2-yl(pyrrolidin-1-yl)methanethione?
furan-2-yl(pyrrolidin-1-yl)methanethione has a molecular weight of 181.26 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl(pyrrolidin-1-yl)methanethione is sourced from PubChem (CID 25148579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).