(5Z)-6-(methylamino)-5-propylidenecyclohex-2-ene-1-thiol

C10H17NS — CID 142463288

IUPAC(5Z)-6-(methylamino)-5-propylidenecyclohex-2-ene-1-thiol
SMILESCC/C=C1/CC=CC(S)C1NC
InChIInChI=1S/C10H17NS/c1-3-5-8-6-4-7-9(12)10(8)11-2/h4-5,7,9-12H,3,6H2,1-2H3/b8-5-
InChIKeyJIMWUYVBFHIXRF-YVMONPNESA-N
MW183.32 g/mol
LogP2.17
Rot. Bonds2

About (5Z)-6-(methylamino)-5-propylidenecyclohex-2-ene-1-thiol

(5Z)-6-(methylamino)-5-propylidenecyclohex-2-ene-1-thiol (PubChem CID 142463288) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is (5Z)-6-(methylamino)-5-propylidenecyclohex-2-ene-1-thiol.

Molecular Properties

Compound Name(5Z)-6-(methylamino)-5-propylidenecyclohex-2-ene-1-thiol
PubChem CID142463288
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name(5Z)-6-(methylamino)-5-propylidenecyclohex-2-ene-1-thiol
SMILESCC/C=C1/CC=CC(S)C1NC
InChIInChI=1S/C10H17NS/c1-3-5-8-6-4-7-9(12)10(8)11-2/h4-5,7,9-12H,3,6H2,1-2H3/b8-5-
InChIKeyJIMWUYVBFHIXRF-YVMONPNESA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-6-(methylamino)-5-propylidenecyclohex-2-ene-1-thiol?
The IUPAC name of (5Z)-6-(methylamino)-5-propylidenecyclohex-2-ene-1-thiol (CID 142463288) is (5Z)-6-(methylamino)-5-propylidenecyclohex-2-ene-1-thiol.
What is the SMILES notation for (5Z)-6-(methylamino)-5-propylidenecyclohex-2-ene-1-thiol?
The canonical SMILES for (5Z)-6-(methylamino)-5-propylidenecyclohex-2-ene-1-thiol is CC/C=C1/CC=CC(S)C1NC.
What is the InChIKey of (5Z)-6-(methylamino)-5-propylidenecyclohex-2-ene-1-thiol?
The InChIKey is JIMWUYVBFHIXRF-YVMONPNESA-N. The full InChI is InChI=1S/C10H17NS/c1-3-5-8-6-4-7-9(12)10(8)11-2/h4-5,7,9-12H,3,6H2,1-2H3/b8-5-.
What are the key properties of (5Z)-6-(methylamino)-5-propylidenecyclohex-2-ene-1-thiol?
(5Z)-6-(methylamino)-5-propylidenecyclohex-2-ene-1-thiol has a molecular weight of 183.32 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-6-(methylamino)-5-propylidenecyclohex-2-ene-1-thiol is sourced from PubChem (CID 142463288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).