2-methyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyridine-1-thione

C9H15NS — CID 167036996

IUPAC2-methyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyridine-1-thione
SMILESCN1CCC2CCCC2C1=S
InChIInChI=1S/C9H15NS/c1-10-6-5-7-3-2-4-8(7)9(10)11/h7-8H,2-6H2,1H3
InChIKeyQWPJADWVXHNSKA-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.07
Rot. Bonds

About 2-methyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyridine-1-thione

2-methyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyridine-1-thione (PubChem CID 167036996) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 2-methyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyridine-1-thione.

Molecular Properties

Compound Name2-methyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyridine-1-thione
PubChem CID167036996
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name2-methyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyridine-1-thione
SMILESCN1CCC2CCCC2C1=S
InChIInChI=1S/C9H15NS/c1-10-6-5-7-3-2-4-8(7)9(10)11/h7-8H,2-6H2,1H3
InChIKeyQWPJADWVXHNSKA-UHFFFAOYSA-N
XLogP2.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyridine-1-thione with MolForge

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Related Compounds

CID 171103552
CID 171103552
CID 177135921
CID 177135921
6,8-dimethyl-2-propan-2-yl-4,4a,5,6,7,8,9,10,11,11a-decahydro-3H-cyclonona[c]pyridine-1-thione
CID 166684643
(3aR,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 59880463
2-propan-2-yl-3,4,4a,5,6,7,8,9,10,10a-decahydrocycloocta[c]pyridin-1-one
CID 155351261
(2R)-4-cyclobutyl-1,2-dimethylpiperidine
CID 171414314
4-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]diazepine
CID 82416478
ethane;1-methyl-4-(1-methylpiperidin-4-yl)azepane
CID 143899908
2-methyl-2-azatricyclo[11.7.0.03,9]icosane
CID 155380713
trans-(2S,6S)-2,6-dicyclohexylcyclohexan-1-one
CID 36691423
2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 12847769
(3aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 142336980

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyridine-1-thione?
The IUPAC name of 2-methyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyridine-1-thione (CID 167036996) is 2-methyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyridine-1-thione.
What is the SMILES notation for 2-methyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyridine-1-thione?
The canonical SMILES for 2-methyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyridine-1-thione is CN1CCC2CCCC2C1=S.
What is the InChIKey of 2-methyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyridine-1-thione?
The InChIKey is QWPJADWVXHNSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-10-6-5-7-3-2-4-8(7)9(10)11/h7-8H,2-6H2,1H3.
What are the key properties of 2-methyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyridine-1-thione?
2-methyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyridine-1-thione has a molecular weight of 169.29 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyridine-1-thione is sourced from PubChem (CID 167036996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).