1-prop-2-enylpiperidine-4-thiol

C8H15NS — CID 87421404

IUPAC1-prop-2-enylpiperidine-4-thiol
SMILESC=CCN1CCC(S)CC1
InChIInChI=1S/C8H15NS/c1-2-5-9-6-3-8(10)4-7-9/h2,8,10H,1,3-7H2
InChIKeyFPAOVSJYDQKWRC-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.57
Rot. Bonds2

About 1-prop-2-enylpiperidine-4-thiol

1-prop-2-enylpiperidine-4-thiol (PubChem CID 87421404) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 1-prop-2-enylpiperidine-4-thiol.

Molecular Properties

Compound Name1-prop-2-enylpiperidine-4-thiol
PubChem CID87421404
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name1-prop-2-enylpiperidine-4-thiol
SMILESC=CCN1CCC(S)CC1
InChIInChI=1S/C8H15NS/c1-2-5-9-6-3-8(10)4-7-9/h2,8,10H,1,3-7H2
InChIKeyFPAOVSJYDQKWRC-UHFFFAOYSA-N
XLogP1.57
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

CID 45118444
CID 45118444
CID 164645632
CID 164645632
CID 164645636
CID 164645636
CID 164657790
CID 164657790
CID 68066000
CID 68066000
CID 87087020
CID 87087020
CID 87421401
CID 87421401
CID 87421403
CID 87421403
CID 87421549
CID 87421549
CID 87421550
CID 87421550
CID 87421580
CID 87421580
CID 87605605
CID 87605605

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylpiperidine-4-thiol?
The IUPAC name of 1-prop-2-enylpiperidine-4-thiol (CID 87421404) is 1-prop-2-enylpiperidine-4-thiol.
What is the SMILES notation for 1-prop-2-enylpiperidine-4-thiol?
The canonical SMILES for 1-prop-2-enylpiperidine-4-thiol is C=CCN1CCC(S)CC1.
What is the InChIKey of 1-prop-2-enylpiperidine-4-thiol?
The InChIKey is FPAOVSJYDQKWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-2-5-9-6-3-8(10)4-7-9/h2,8,10H,1,3-7H2.
What are the key properties of 1-prop-2-enylpiperidine-4-thiol?
1-prop-2-enylpiperidine-4-thiol has a molecular weight of 157.28 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylpiperidine-4-thiol is sourced from PubChem (CID 87421404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).