(2E)-N-ethenyl-4-methylsulfanylpenta-2,4-dien-2-amine

C8H13NS — CID 126584050

IUPAC(2E)-N-ethenyl-4-methylsulfanylpenta-2,4-dien-2-amine
SMILESC=CN/C(C)=C/C(=C)SC
InChIInChI=1S/C8H13NS/c1-5-9-7(2)6-8(3)10-4/h5-6,9H,1,3H2,2,4H3/b7-6+
InChIKeyHBMFYGGHAUCVBZ-VOTSOKGWSA-N
MW155.27 g/mol
LogP2.50
Rot. Bonds4

About (2E)-N-ethenyl-4-methylsulfanylpenta-2,4-dien-2-amine

(2E)-N-ethenyl-4-methylsulfanylpenta-2,4-dien-2-amine (PubChem CID 126584050) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is (2E)-N-ethenyl-4-methylsulfanylpenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-N-ethenyl-4-methylsulfanylpenta-2,4-dien-2-amine
PubChem CID126584050
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name(2E)-N-ethenyl-4-methylsulfanylpenta-2,4-dien-2-amine
SMILESC=CN/C(C)=C/C(=C)SC
InChIInChI=1S/C8H13NS/c1-5-9-7(2)6-8(3)10-4/h5-6,9H,1,3H2,2,4H3/b7-6+
InChIKeyHBMFYGGHAUCVBZ-VOTSOKGWSA-N
XLogP2.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-(trifluoromethylsulfanyl)-1H-azepine
CID 135160329
4-Methylsulfanyl-1,2-dihydropyridine
CID 19962193
6-Methyl-1-(2-methylsulfanylethyl)-1,2-dihydropyridin-1-ium
CID 59893090
N-methyl-2H-thiopyran-4-amine
CID 70273602
(2E,4Z)-2-methylsulfanyl-N-prop-1-en-2-ylhexa-2,4-dien-1-amine
CID 89088796
3-ethenyl-2-[(Z)-prop-1-enyl]-4H-1,4-thiazine
CID 89176393
(2Z,4Z)-N-[2-(disulfanyl)ethyl]hexa-2,4-dien-2-amine
CID 89328144
5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole
CID 121275139
(2E)-N-ethenyl-N-methyl-4-methylsulfanylpenta-2,4-dien-2-amine
CID 126584258
(1Z)-3-methylsulfanyl-N-propan-2-ylbuta-1,3-dien-1-amine
CID 126660905
(1Z,3Z)-2-amino-1-[[(1Z)-buta-1,3-dienyl]amino]penta-1,3-diene-1-thiol
CID 126746773
(1Z,3Z)-1-N-[(1Z)-buta-1,3-dienyl]-1-methylsulfanylpenta-1,3-diene-1,2-diamine
CID 126746842

Frequently Asked Questions

What is the IUPAC name of (2E)-N-ethenyl-4-methylsulfanylpenta-2,4-dien-2-amine?
The IUPAC name of (2E)-N-ethenyl-4-methylsulfanylpenta-2,4-dien-2-amine (CID 126584050) is (2E)-N-ethenyl-4-methylsulfanylpenta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-N-ethenyl-4-methylsulfanylpenta-2,4-dien-2-amine?
The canonical SMILES for (2E)-N-ethenyl-4-methylsulfanylpenta-2,4-dien-2-amine is C=CN/C(C)=C/C(=C)SC.
What is the InChIKey of (2E)-N-ethenyl-4-methylsulfanylpenta-2,4-dien-2-amine?
The InChIKey is HBMFYGGHAUCVBZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H13NS/c1-5-9-7(2)6-8(3)10-4/h5-6,9H,1,3H2,2,4H3/b7-6+.
What are the key properties of (2E)-N-ethenyl-4-methylsulfanylpenta-2,4-dien-2-amine?
(2E)-N-ethenyl-4-methylsulfanylpenta-2,4-dien-2-amine has a molecular weight of 155.27 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-ethenyl-4-methylsulfanylpenta-2,4-dien-2-amine is sourced from PubChem (CID 126584050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).