(2E)-2-(ethylsulfanylmethyl)penta-2,4-dien-1-amine

C8H15NS — CID 130412225

IUPAC(2E)-2-(ethylsulfanylmethyl)penta-2,4-dien-1-amine
SMILESC=C/C=C(\CN)CSCC
InChIInChI=1S/C8H15NS/c1-3-5-8(6-9)7-10-4-2/h3,5H,1,4,6-7,9H2,2H3/b8-5+
InChIKeyQPFCSYKIUJPDSR-VMPITWQZSA-N
MW157.28 g/mol
LogP1.81
Rot. Bonds5

About (2E)-2-(ethylsulfanylmethyl)penta-2,4-dien-1-amine

(2E)-2-(ethylsulfanylmethyl)penta-2,4-dien-1-amine (PubChem CID 130412225) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is (2E)-2-(ethylsulfanylmethyl)penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-2-(ethylsulfanylmethyl)penta-2,4-dien-1-amine
PubChem CID130412225
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name(2E)-2-(ethylsulfanylmethyl)penta-2,4-dien-1-amine
SMILESC=C/C=C(\CN)CSCC
InChIInChI=1S/C8H15NS/c1-3-5-8(6-9)7-10-4-2/h3,5H,1,4,6-7,9H2,2H3/b8-5+
InChIKeyQPFCSYKIUJPDSR-VMPITWQZSA-N
XLogP1.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E)-2-(ethylsulfanylmethyl)penta-2,4-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-2-methylbut-2-enyl]sulfanylethanamine
CID 58684213
3-(3-Methylbut-2-enylsulfanyl)propan-1-amine
CID 58684385
3-[(E)-2-methylbut-2-enyl]sulfanylpropan-1-amine
CID 58684732
2H-thiopyran-3-ylmethanamine
CID 68137825
2H-thiopyran-6-ylmethanamine
CID 68500862
2-(2-Methylbut-2-enylsulfanyl)ethanamine
CID 72390994
3-(2-Methylbut-2-enylsulfanyl)propan-1-amine
CID 72391247
(2E,4Z)-2-ethylsulfanylhexa-2,4-dien-1-amine
CID 89367415
6-Butylsulfanyl-4,8-dimethylnona-2,4,6,8-tetraen-1-amine
CID 91252829
2-Methylidene-1-methylsulfanylhexa-3,5-dien-1-amine
CID 91267962
(3Z,5Z)-6-ethylsulfanyl-2-methylidenehexa-3,5-dien-1-amine
CID 134341037
3-methyl-2H-thiopyran-2-amine
CID 141215627

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(ethylsulfanylmethyl)penta-2,4-dien-1-amine?
The IUPAC name of (2E)-2-(ethylsulfanylmethyl)penta-2,4-dien-1-amine (CID 130412225) is (2E)-2-(ethylsulfanylmethyl)penta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-2-(ethylsulfanylmethyl)penta-2,4-dien-1-amine?
The canonical SMILES for (2E)-2-(ethylsulfanylmethyl)penta-2,4-dien-1-amine is C=C/C=C(\CN)CSCC.
What is the InChIKey of (2E)-2-(ethylsulfanylmethyl)penta-2,4-dien-1-amine?
The InChIKey is QPFCSYKIUJPDSR-VMPITWQZSA-N. The full InChI is InChI=1S/C8H15NS/c1-3-5-8(6-9)7-10-4-2/h3,5H,1,4,6-7,9H2,2H3/b8-5+.
What are the key properties of (2E)-2-(ethylsulfanylmethyl)penta-2,4-dien-1-amine?
(2E)-2-(ethylsulfanylmethyl)penta-2,4-dien-1-amine has a molecular weight of 157.28 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(ethylsulfanylmethyl)penta-2,4-dien-1-amine is sourced from PubChem (CID 130412225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).