(2E)-4-(2-ethenylphenyl)sulfanyl-N-methylpenta-2,4-dien-2-amine

C14H17NS — CID 166852929

IUPAC(2E)-4-(2-ethenylphenyl)sulfanyl-N-methylpenta-2,4-dien-2-amine
SMILESC=Cc1ccccc1SC(=C)/C=C(\C)NC
InChIInChI=1S/C14H17NS/c1-5-13-8-6-7-9-14(13)16-12(3)10-11(2)15-4/h5-10,15H,1,3H2,2,4H3/b11-10+
InChIKeyDVLZMDWQMNEQRG-ZHACJKMWSA-N
MW231.36 g/mol
LogP4.06
Rot. Bonds5

About (2E)-4-(2-ethenylphenyl)sulfanyl-N-methylpenta-2,4-dien-2-amine

(2E)-4-(2-ethenylphenyl)sulfanyl-N-methylpenta-2,4-dien-2-amine (PubChem CID 166852929) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is (2E)-4-(2-ethenylphenyl)sulfanyl-N-methylpenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-4-(2-ethenylphenyl)sulfanyl-N-methylpenta-2,4-dien-2-amine
PubChem CID166852929
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name(2E)-4-(2-ethenylphenyl)sulfanyl-N-methylpenta-2,4-dien-2-amine
SMILESC=Cc1ccccc1SC(=C)/C=C(\C)NC
InChIInChI=1S/C14H17NS/c1-5-13-8-6-7-9-14(13)16-12(3)10-11(2)15-4/h5-10,15H,1,3H2,2,4H3/b11-10+
InChIKeyDVLZMDWQMNEQRG-ZHACJKMWSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-4-(2-ethenylphenyl)sulfanyl-N-methylpenta-2,4-dien-2-amine?
The IUPAC name of (2E)-4-(2-ethenylphenyl)sulfanyl-N-methylpenta-2,4-dien-2-amine (CID 166852929) is (2E)-4-(2-ethenylphenyl)sulfanyl-N-methylpenta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-4-(2-ethenylphenyl)sulfanyl-N-methylpenta-2,4-dien-2-amine?
The canonical SMILES for (2E)-4-(2-ethenylphenyl)sulfanyl-N-methylpenta-2,4-dien-2-amine is C=Cc1ccccc1SC(=C)/C=C(\C)NC.
What is the InChIKey of (2E)-4-(2-ethenylphenyl)sulfanyl-N-methylpenta-2,4-dien-2-amine?
The InChIKey is DVLZMDWQMNEQRG-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H17NS/c1-5-13-8-6-7-9-14(13)16-12(3)10-11(2)15-4/h5-10,15H,1,3H2,2,4H3/b11-10+.
What are the key properties of (2E)-4-(2-ethenylphenyl)sulfanyl-N-methylpenta-2,4-dien-2-amine?
(2E)-4-(2-ethenylphenyl)sulfanyl-N-methylpenta-2,4-dien-2-amine has a molecular weight of 231.36 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-(2-ethenylphenyl)sulfanyl-N-methylpenta-2,4-dien-2-amine is sourced from PubChem (CID 166852929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).