2-[(E)-pent-3-enyl]sulfanylethanamine

C7H15NS — CID 58684285

IUPAC2-[(E)-pent-3-enyl]sulfanylethanamine
SMILESC/C=C/CCSCCN
InChIInChI=1S/C7H15NS/c1-2-3-4-6-9-7-5-8/h2-3H,4-8H2,1H3/b3-2+
InChIKeyDJVJGSNMVWOJJB-NSCUHMNNSA-N
MW145.27 g/mol
LogP1.64
Rot. Bonds5

About 2-[(E)-pent-3-enyl]sulfanylethanamine

2-[(E)-pent-3-enyl]sulfanylethanamine (PubChem CID 58684285) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 2-[(E)-pent-3-enyl]sulfanylethanamine.

Molecular Properties

Compound Name2-[(E)-pent-3-enyl]sulfanylethanamine
PubChem CID58684285
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name2-[(E)-pent-3-enyl]sulfanylethanamine
SMILESC/C=C/CCSCCN
InChIInChI=1S/C7H15NS/c1-2-3-4-6-9-7-5-8/h2-3H,4-8H2,1H3/b3-2+
InChIKeyDJVJGSNMVWOJJB-NSCUHMNNSA-N
XLogP1.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.64
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-[(E)-3-methylpent-3-en-2-yl]sulfanylethanamine
CID 176430969
(2E)-2-(thiolan-2-ylidene)ethanamine
CID 14045338
(2Z)-2-(thiolan-2-ylidene)ethanamine
CID 14045339
2-Cyclohexa-1,3-dien-1-ylsulfanylethanamine
CID 20187847
2-[(E)-but-2-enyl]sulfanylethanamine
CID 24693964
2-(Thiolan-2-ylidene)ethanamine
CID 53752433
2-But-2-enylsulfanylethanamine
CID 54209603
2-[(4-Methylpent-3-en-1-yl)sulfanyl]ethan-1-amine
CID 58684050
2-But-3-en-2-ylsulfanylethanamine
CID 58684069
3-(4-Methylpent-3-enylsulfanyl)propan-1-amine
CID 58684137
3-But-3-en-2-ylsulfanylpropan-1-amine
CID 58684172
3-Cyclopent-3-en-1-ylsulfanylpropan-1-amine
CID 58684245

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-pent-3-enyl]sulfanylethanamine?
The IUPAC name of 2-[(E)-pent-3-enyl]sulfanylethanamine (CID 58684285) is 2-[(E)-pent-3-enyl]sulfanylethanamine.
What is the SMILES notation for 2-[(E)-pent-3-enyl]sulfanylethanamine?
The canonical SMILES for 2-[(E)-pent-3-enyl]sulfanylethanamine is C/C=C/CCSCCN.
What is the InChIKey of 2-[(E)-pent-3-enyl]sulfanylethanamine?
The InChIKey is DJVJGSNMVWOJJB-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H15NS/c1-2-3-4-6-9-7-5-8/h2-3H,4-8H2,1H3/b3-2+.
What are the key properties of 2-[(E)-pent-3-enyl]sulfanylethanamine?
2-[(E)-pent-3-enyl]sulfanylethanamine has a molecular weight of 145.27 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-pent-3-enyl]sulfanylethanamine is sourced from PubChem (CID 58684285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).