3-[(E)-pent-3-enyl]sulfanylpropan-1-amine

C8H17NS — CID 58684767

IUPAC3-[(E)-pent-3-enyl]sulfanylpropan-1-amine
SMILESC/C=C/CCSCCCN
InChIInChI=1S/C8H17NS/c1-2-3-4-7-10-8-5-6-9/h2-3H,4-9H2,1H3/b3-2+
InChIKeyDOXZSDJHAPYDMS-NSCUHMNNSA-N
MW159.30 g/mol
LogP2.03
Rot. Bonds6

About 3-[(E)-pent-3-enyl]sulfanylpropan-1-amine

3-[(E)-pent-3-enyl]sulfanylpropan-1-amine (PubChem CID 58684767) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 3-[(E)-pent-3-enyl]sulfanylpropan-1-amine.

Molecular Properties

Compound Name3-[(E)-pent-3-enyl]sulfanylpropan-1-amine
PubChem CID58684767
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name3-[(E)-pent-3-enyl]sulfanylpropan-1-amine
SMILESC/C=C/CCSCCCN
InChIInChI=1S/C8H17NS/c1-2-3-4-7-10-8-5-6-9/h2-3H,4-9H2,1H3/b3-2+
InChIKeyDOXZSDJHAPYDMS-NSCUHMNNSA-N
XLogP2.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.03
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
2-[(2E)-3,7-dimethylocta-2,6-dienyl]sulfanylethanamine
CID 14537476
2-Cyclohexa-1,3-dien-1-ylsulfanylethanamine
CID 20187847
2-Octadec-9-enylsulfanylethanamine
CID 53684951
2-Undec-2-enylsulfanylethanamine
CID 54235439
2-[(3,7-Dimethylocta-2,6-dien-1-yl)sulfanyl]ethan-1-amine
CID 54347198
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-Cyclohex-3-en-1-ylsulfanylpropan-1-amine
CID 58684239
3-Cyclopent-3-en-1-ylsulfanylpropan-1-amine
CID 58684245

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-pent-3-enyl]sulfanylpropan-1-amine?
The IUPAC name of 3-[(E)-pent-3-enyl]sulfanylpropan-1-amine (CID 58684767) is 3-[(E)-pent-3-enyl]sulfanylpropan-1-amine.
What is the SMILES notation for 3-[(E)-pent-3-enyl]sulfanylpropan-1-amine?
The canonical SMILES for 3-[(E)-pent-3-enyl]sulfanylpropan-1-amine is C/C=C/CCSCCCN.
What is the InChIKey of 3-[(E)-pent-3-enyl]sulfanylpropan-1-amine?
The InChIKey is DOXZSDJHAPYDMS-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H17NS/c1-2-3-4-7-10-8-5-6-9/h2-3H,4-9H2,1H3/b3-2+.
What are the key properties of 3-[(E)-pent-3-enyl]sulfanylpropan-1-amine?
3-[(E)-pent-3-enyl]sulfanylpropan-1-amine has a molecular weight of 159.30 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-pent-3-enyl]sulfanylpropan-1-amine is sourced from PubChem (CID 58684767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).