2-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]sulfanylethanamine

C10H19NS — CID 145465928

IUPAC2-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]sulfanylethanamine
SMILESC/C=C\C(=C/CC)CSCCN
InChIInChI=1S/C10H19NS/c1-3-5-10(6-4-2)9-12-8-7-11/h3,5-6H,4,7-9,11H2,1-2H3/b5-3-,10-6+
InChIKeyHXCTZWWBSZHFOE-UTMABKKZSA-N
MW185.34 g/mol
LogP2.59
Rot. Bonds6

About 2-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]sulfanylethanamine

2-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]sulfanylethanamine (PubChem CID 145465928) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 2-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]sulfanylethanamine.

Molecular Properties

Compound Name2-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]sulfanylethanamine
PubChem CID145465928
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name2-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]sulfanylethanamine
SMILESC/C=C\C(=C/CC)CSCCN
InChIInChI=1S/C10H19NS/c1-3-5-10(6-4-2)9-12-8-7-11/h3,5-6H,4,7-9,11H2,1-2H3/b5-3-,10-6+
InChIKeyHXCTZWWBSZHFOE-UTMABKKZSA-N
XLogP2.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]sulfanylethanamine?
The IUPAC name of 2-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]sulfanylethanamine (CID 145465928) is 2-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]sulfanylethanamine.
What is the SMILES notation for 2-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]sulfanylethanamine?
The canonical SMILES for 2-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]sulfanylethanamine is C/C=C\C(=C/CC)CSCCN.
What is the InChIKey of 2-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]sulfanylethanamine?
The InChIKey is HXCTZWWBSZHFOE-UTMABKKZSA-N. The full InChI is InChI=1S/C10H19NS/c1-3-5-10(6-4-2)9-12-8-7-11/h3,5-6H,4,7-9,11H2,1-2H3/b5-3-,10-6+.
What are the key properties of 2-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]sulfanylethanamine?
2-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]sulfanylethanamine has a molecular weight of 185.34 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]sulfanylethanamine is sourced from PubChem (CID 145465928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).