4-(2-methylprop-2-enylsulfanyl)piperidine

C9H17NS — CID 82181276

IUPAC4-(2-methylprop-2-enylsulfanyl)piperidine
SMILESC=C(C)CSC1CCNCC1
InChIInChI=1S/C9H17NS/c1-8(2)7-11-9-3-5-10-6-4-9/h9-10H,1,3-7H2,2H3
InChIKeyFNVIRXDQUPOYKX-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.05
Rot. Bonds3

About 4-(2-methylprop-2-enylsulfanyl)piperidine

4-(2-methylprop-2-enylsulfanyl)piperidine (PubChem CID 82181276) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 4-(2-methylprop-2-enylsulfanyl)piperidine.

Molecular Properties

Compound Name4-(2-methylprop-2-enylsulfanyl)piperidine
PubChem CID82181276
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name4-(2-methylprop-2-enylsulfanyl)piperidine
SMILESC=C(C)CSC1CCNCC1
InChIInChI=1S/C9H17NS/c1-8(2)7-11-9-3-5-10-6-4-9/h9-10H,1,3-7H2,2H3
InChIKeyFNVIRXDQUPOYKX-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(Tert-butylsulfanyl)piperidine hydrochloride
CID 72716464
2-Butyl-1,3-thiazinane
CID 3061406
4-Tert-butylsulfanylpiperidine
CID 71778000
4-(2-Fluoro-2-methylpropyl)sulfanylpiperidine
CID 84663638
3-(2-Fluoro-2-methylpropyl)sulfanylpiperidine
CID 84663640
2-Butylthiomorpholine
CID 13234093
4-Butylsulfanylpiperidine
CID 20735390
4-(3-Methylbutylsulfanyl)piperidine
CID 20735397
3-Propan-2-ylsulfanylpiperidine
CID 53699464
3-Propylsulfanylpiperidine
CID 53882915
4-(Propan-2-ylsulfanyl)piperidine
CID 54318688
4-Propylsulfanylpiperidine
CID 54429169

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylprop-2-enylsulfanyl)piperidine?
The IUPAC name of 4-(2-methylprop-2-enylsulfanyl)piperidine (CID 82181276) is 4-(2-methylprop-2-enylsulfanyl)piperidine.
What is the SMILES notation for 4-(2-methylprop-2-enylsulfanyl)piperidine?
The canonical SMILES for 4-(2-methylprop-2-enylsulfanyl)piperidine is C=C(C)CSC1CCNCC1.
What is the InChIKey of 4-(2-methylprop-2-enylsulfanyl)piperidine?
The InChIKey is FNVIRXDQUPOYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-8(2)7-11-9-3-5-10-6-4-9/h9-10H,1,3-7H2,2H3.
What are the key properties of 4-(2-methylprop-2-enylsulfanyl)piperidine?
4-(2-methylprop-2-enylsulfanyl)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-(2-methylprop-2-enylsulfanyl)piperidine is sourced from PubChem (CID 82181276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).