4-pyrrolidin-1-yl-1,2-dihydropyridine-2-thiol

C9H14N2S — CID 141128080

IUPAC4-pyrrolidin-1-yl-1,2-dihydropyridine-2-thiol
SMILESSC1C=C(N2CCCC2)C=CN1
InChIInChI=1S/C9H14N2S/c12-9-7-8(3-4-10-9)11-5-1-2-6-11/h3-4,7,9-10,12H,1-2,5-6H2
InChIKeyHUDBXWVREDRBBC-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.34
Rot. Bonds1

About 4-pyrrolidin-1-yl-1,2-dihydropyridine-2-thiol

4-pyrrolidin-1-yl-1,2-dihydropyridine-2-thiol (PubChem CID 141128080) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 4-pyrrolidin-1-yl-1,2-dihydropyridine-2-thiol.

Molecular Properties

Compound Name4-pyrrolidin-1-yl-1,2-dihydropyridine-2-thiol
PubChem CID141128080
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name4-pyrrolidin-1-yl-1,2-dihydropyridine-2-thiol
SMILESSC1C=C(N2CCCC2)C=CN1
InChIInChI=1S/C9H14N2S/c12-9-7-8(3-4-10-9)11-5-1-2-6-11/h3-4,7,9-10,12H,1-2,5-6H2
InChIKeyHUDBXWVREDRBBC-UHFFFAOYSA-N
XLogP1.34
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.34
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

1-[2-(1,2-dihydropyridin-2-yl)-1,2-dihydropyridin-4-yl]piperidine-4-carboxylic acid
CID 142064822
1-(1,2-dihydropyridin-4-yl)-1,4-diazepane
CID 86340381
1-(4-iodocyclohexa-1,5-dien-1-yl)piperidine
CID 67558212
3-piperidin-1-yl-1H-azaindigole
CID 141234527
1-[3-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]piperidine
CID 175756656
1-(2,4,5-tripyrrolidin-1-ylphenyl)pyrrolidine
CID 86233327
1-(5-bromocyclohexa-1,5-dien-1-yl)piperidine
CID 173233336
1-oxido-4-piperidin-1-yl-1,6-dihydropyrimidin-1-ium-2,6-diamine
CID 90137984
5-bromo-2-pyrrolidin-1-ylbenzaldehyde
CID 23091126
ethane;1-methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine
CID 91221169
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
3,3-dimethyl-5-pyrrolidin-1-ylcyclohepta-1,4,6-trien-1-amine
CID 142170233

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-yl-1,2-dihydropyridine-2-thiol?
The IUPAC name of 4-pyrrolidin-1-yl-1,2-dihydropyridine-2-thiol (CID 141128080) is 4-pyrrolidin-1-yl-1,2-dihydropyridine-2-thiol.
What is the SMILES notation for 4-pyrrolidin-1-yl-1,2-dihydropyridine-2-thiol?
The canonical SMILES for 4-pyrrolidin-1-yl-1,2-dihydropyridine-2-thiol is SC1C=C(N2CCCC2)C=CN1.
What is the InChIKey of 4-pyrrolidin-1-yl-1,2-dihydropyridine-2-thiol?
The InChIKey is HUDBXWVREDRBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c12-9-7-8(3-4-10-9)11-5-1-2-6-11/h3-4,7,9-10,12H,1-2,5-6H2.
What are the key properties of 4-pyrrolidin-1-yl-1,2-dihydropyridine-2-thiol?
4-pyrrolidin-1-yl-1,2-dihydropyridine-2-thiol has a molecular weight of 182.29 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-yl-1,2-dihydropyridine-2-thiol is sourced from PubChem (CID 141128080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).