(3Z)-3-(4-cyclopropylsulfanylphenyl)-3-propan-2-yloxyiminoprop-1-en-2-amine

C15H20N2OS — CID 143392597

IUPAC(3Z)-3-(4-cyclopropylsulfanylphenyl)-3-propan-2-yloxyiminoprop-1-en-2-amine
SMILESC=C(N)/C(=N\OC(C)C)c1ccc(SC2CC2)cc1
InChIInChI=1S/C15H20N2OS/c1-10(2)18-17-15(11(3)16)12-4-6-13(7-5-12)19-14-8-9-14/h4-7,10,14H,3,8-9,16H2,1-2H3/b17-15+
InChIKeyRYRWBDBPYOFKEX-BMRADRMJSA-N
MW276.41 g/mol
LogP3.54
Rot. Bonds6

About (3Z)-3-(4-cyclopropylsulfanylphenyl)-3-propan-2-yloxyiminoprop-1-en-2-amine

(3Z)-3-(4-cyclopropylsulfanylphenyl)-3-propan-2-yloxyiminoprop-1-en-2-amine (PubChem CID 143392597) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is (3Z)-3-(4-cyclopropylsulfanylphenyl)-3-propan-2-yloxyiminoprop-1-en-2-amine.

Molecular Properties

Compound Name(3Z)-3-(4-cyclopropylsulfanylphenyl)-3-propan-2-yloxyiminoprop-1-en-2-amine
PubChem CID143392597
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name(3Z)-3-(4-cyclopropylsulfanylphenyl)-3-propan-2-yloxyiminoprop-1-en-2-amine
SMILESC=C(N)/C(=N\OC(C)C)c1ccc(SC2CC2)cc1
InChIInChI=1S/C15H20N2OS/c1-10(2)18-17-15(11(3)16)12-4-6-13(7-5-12)19-14-8-9-14/h4-7,10,14H,3,8-9,16H2,1-2H3/b17-15+
InChIKeyRYRWBDBPYOFKEX-BMRADRMJSA-N
XLogP3.54
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(4-cyclopropylsulfanylphenyl)-3-propan-2-yloxyiminoprop-1-en-2-amine?
The IUPAC name of (3Z)-3-(4-cyclopropylsulfanylphenyl)-3-propan-2-yloxyiminoprop-1-en-2-amine (CID 143392597) is (3Z)-3-(4-cyclopropylsulfanylphenyl)-3-propan-2-yloxyiminoprop-1-en-2-amine.
What is the SMILES notation for (3Z)-3-(4-cyclopropylsulfanylphenyl)-3-propan-2-yloxyiminoprop-1-en-2-amine?
The canonical SMILES for (3Z)-3-(4-cyclopropylsulfanylphenyl)-3-propan-2-yloxyiminoprop-1-en-2-amine is C=C(N)/C(=N\OC(C)C)c1ccc(SC2CC2)cc1.
What is the InChIKey of (3Z)-3-(4-cyclopropylsulfanylphenyl)-3-propan-2-yloxyiminoprop-1-en-2-amine?
The InChIKey is RYRWBDBPYOFKEX-BMRADRMJSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10(2)18-17-15(11(3)16)12-4-6-13(7-5-12)19-14-8-9-14/h4-7,10,14H,3,8-9,16H2,1-2H3/b17-15+.
What are the key properties of (3Z)-3-(4-cyclopropylsulfanylphenyl)-3-propan-2-yloxyiminoprop-1-en-2-amine?
(3Z)-3-(4-cyclopropylsulfanylphenyl)-3-propan-2-yloxyiminoprop-1-en-2-amine has a molecular weight of 276.41 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(4-cyclopropylsulfanylphenyl)-3-propan-2-yloxyiminoprop-1-en-2-amine is sourced from PubChem (CID 143392597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).