2-(2-prop-2-enylsulfanylethyl)piperidine

C10H19NS — CID 82182446

IUPAC2-(2-prop-2-enylsulfanylethyl)piperidine
SMILESC=CCSCCC1CCCCN1
InChIInChI=1S/C10H19NS/c1-2-8-12-9-6-10-5-3-4-7-11-10/h2,10-11H,1,3-9H2
InChIKeyBLPIEEMBIDOZFF-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.44
Rot. Bonds5

About 2-(2-prop-2-enylsulfanylethyl)piperidine

2-(2-prop-2-enylsulfanylethyl)piperidine (PubChem CID 82182446) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 2-(2-prop-2-enylsulfanylethyl)piperidine.

Molecular Properties

Compound Name2-(2-prop-2-enylsulfanylethyl)piperidine
PubChem CID82182446
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name2-(2-prop-2-enylsulfanylethyl)piperidine
SMILESC=CCSCCC1CCCCN1
InChIInChI=1S/C10H19NS/c1-2-8-12-9-6-10-5-3-4-7-11-10/h2,10-11H,1,3-9H2
InChIKeyBLPIEEMBIDOZFF-UHFFFAOYSA-N
XLogP2.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.44
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'}

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Related Compounds

2-(1-Propan-2-ylsulfanylethyl)piperidine
CID 145832869
3-[(E)-prop-1-enyl]sulfanylpiperidine
CID 172623859
N-(prop-2-en-1-yl)thian-4-amine
CID 43394829
2-(2-Butylsulfanylethyl)piperidine
CID 61683870
2-[2-(Propan-2-ylsulfanyl)ethyl]piperidine
CID 61683946
2-(2-Piperidin-2-ylethylsulfanyl)ethanamine
CID 61684080
2-[2-(Ethylsulfanyl)ethyl]piperidine
CID 61684329
2-(2-Propylsulfanylethyl)piperidine
CID 61684375
2-(2-Butan-2-ylsulfanylethyl)piperidine
CID 61684376
N-prop-2-enylthian-3-amine
CID 62872866
3,4,4a,5,6,7,8,9,10,11,12,13,14,14a-tetradecahydro-2H-cyclododeca[b][1,4]thiazine
CID 64281673
1-cyclohexylsulfanyl-N-ethylhept-6-en-2-amine
CID 65144047

Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enylsulfanylethyl)piperidine?
The IUPAC name of 2-(2-prop-2-enylsulfanylethyl)piperidine (CID 82182446) is 2-(2-prop-2-enylsulfanylethyl)piperidine.
What is the SMILES notation for 2-(2-prop-2-enylsulfanylethyl)piperidine?
The canonical SMILES for 2-(2-prop-2-enylsulfanylethyl)piperidine is C=CCSCCC1CCCCN1.
What is the InChIKey of 2-(2-prop-2-enylsulfanylethyl)piperidine?
The InChIKey is BLPIEEMBIDOZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-2-8-12-9-6-10-5-3-4-7-11-10/h2,10-11H,1,3-9H2.
What are the key properties of 2-(2-prop-2-enylsulfanylethyl)piperidine?
2-(2-prop-2-enylsulfanylethyl)piperidine has a molecular weight of 185.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enylsulfanylethyl)piperidine is sourced from PubChem (CID 82182446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).