4-(3-methylsulfanylpropylidene)piperidine

C9H17NS — CID 163834760

IUPAC4-(3-methylsulfanylpropylidene)piperidine
SMILESCSCCC=C1CCNCC1
InChIInChI=1S/C9H17NS/c1-11-8-2-3-9-4-6-10-7-5-9/h3,10H,2,4-8H2,1H3
InChIKeyOGUIUMPSYAOJEG-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.05
Rot. Bonds3

About 4-(3-methylsulfanylpropylidene)piperidine

4-(3-methylsulfanylpropylidene)piperidine (PubChem CID 163834760) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 4-(3-methylsulfanylpropylidene)piperidine.

Molecular Properties

Compound Name4-(3-methylsulfanylpropylidene)piperidine
PubChem CID163834760
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name4-(3-methylsulfanylpropylidene)piperidine
SMILESCSCCC=C1CCNCC1
InChIInChI=1S/C9H17NS/c1-11-8-2-3-9-4-6-10-7-5-9/h3,10H,2,4-8H2,1H3
InChIKeyOGUIUMPSYAOJEG-UHFFFAOYSA-N
XLogP2.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3-methylsulfanylpropylidene)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-Fluorocyclohepta-1,4,6-trien-1-yl)methylsulfanyl]piperidine
CID 142816289
2,4,5,6,7,7a-Hexahydrothieno[3,2-c]pyridine
CID 56638485
6-Methyl-2,3,4,4a,5,8,9,9a-octahydrocyclohepta[b][1,4]thiazine
CID 91482375
4-[(5-methyl-4H-thiopyran-2-yl)methylidene]piperidine
CID 123443076
3-Methyl-4-methylsulfanyl-5-propan-2-ylidenepiperidine
CID 134244005
3-(3,4-dihydro-2H-thiopyran-6-yl)piperidine
CID 141821076
4-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanylpiperidine
CID 142028573
4-methyl-4-[(2E)-3-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]sulfanylpiperidine
CID 142139236
4-[(3E)-4-methyl-3-methylsulfanylhexa-1,3,5-trien-2-yl]piperidine
CID 143150989
2,4,5,6,7,7a-Hexahydrothieno[3,2-c]pyridine;ethane
CID 144913842
4-(6-methyl-3,4-dihydro-2H-thiopyran-2-yl)-1,2,3,6-tetrahydropyridine
CID 145587805
2-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]thiomorpholine
CID 145591283

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylsulfanylpropylidene)piperidine?
The IUPAC name of 4-(3-methylsulfanylpropylidene)piperidine (CID 163834760) is 4-(3-methylsulfanylpropylidene)piperidine.
What is the SMILES notation for 4-(3-methylsulfanylpropylidene)piperidine?
The canonical SMILES for 4-(3-methylsulfanylpropylidene)piperidine is CSCCC=C1CCNCC1.
What is the InChIKey of 4-(3-methylsulfanylpropylidene)piperidine?
The InChIKey is OGUIUMPSYAOJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-11-8-2-3-9-4-6-10-7-5-9/h3,10H,2,4-8H2,1H3.
What are the key properties of 4-(3-methylsulfanylpropylidene)piperidine?
4-(3-methylsulfanylpropylidene)piperidine has a molecular weight of 171.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylsulfanylpropylidene)piperidine is sourced from PubChem (CID 163834760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).