4-prop-2-enylsulfanylpiperidine

C8H15NS — CID 82181265

IUPAC4-prop-2-enylsulfanylpiperidine
SMILESC=CCSC1CCNCC1
InChIInChI=1S/C8H15NS/c1-2-7-10-8-3-5-9-6-4-8/h2,8-9H,1,3-7H2
InChIKeyBBMLBNCTXMVIRQ-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.66
Rot. Bonds3

About 4-prop-2-enylsulfanylpiperidine

4-prop-2-enylsulfanylpiperidine (PubChem CID 82181265) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 4-prop-2-enylsulfanylpiperidine.

Molecular Properties

Compound Name4-prop-2-enylsulfanylpiperidine
PubChem CID82181265
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name4-prop-2-enylsulfanylpiperidine
SMILESC=CCSC1CCNCC1
InChIInChI=1S/C8H15NS/c1-2-7-10-8-3-5-9-6-4-8/h2,8-9H,1,3-7H2
InChIKeyBBMLBNCTXMVIRQ-UHFFFAOYSA-N
XLogP1.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.66
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

N-prop-2-enylthian-2-amine
CID 23566330
2-Prop-2-enylthiomorpholine
CID 66900120
4-Prop-2-enylsulfonylpiperidine
CID 82181327
3-Ethenylsulfanylpiperidine
CID 164539291
3-[(E)-prop-1-enyl]sulfanylpiperidine
CID 172623859
N-pentyl-4-prop-2-enylsulfanylpentan-1-amine
CID 173230807
N-(prop-2-en-1-yl)thian-4-amine
CID 43394829
N-prop-2-enylthian-3-amine
CID 62872866
N-(thiolan-2-ylmethyl)prop-2-en-1-amine
CID 80585580
N-(thian-2-ylmethyl)but-3-en-1-amine
CID 80600621
N-(thian-2-ylmethyl)pent-4-en-1-amine
CID 80600811
N-(thian-2-ylmethyl)prop-2-en-1-amine
CID 80601181

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enylsulfanylpiperidine?
The IUPAC name of 4-prop-2-enylsulfanylpiperidine (CID 82181265) is 4-prop-2-enylsulfanylpiperidine.
What is the SMILES notation for 4-prop-2-enylsulfanylpiperidine?
The canonical SMILES for 4-prop-2-enylsulfanylpiperidine is C=CCSC1CCNCC1.
What is the InChIKey of 4-prop-2-enylsulfanylpiperidine?
The InChIKey is BBMLBNCTXMVIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-2-7-10-8-3-5-9-6-4-8/h2,8-9H,1,3-7H2.
What are the key properties of 4-prop-2-enylsulfanylpiperidine?
4-prop-2-enylsulfanylpiperidine has a molecular weight of 157.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylsulfanylpiperidine is sourced from PubChem (CID 82181265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).