(E)-1-(3-methylphenyl)-2-methylsulfanyl-2-methylsulfinylethenamine

C11H15NOS2 — CID 88817614

IUPAC(E)-1-(3-methylphenyl)-2-methylsulfanyl-2-methylsulfinylethenamine
SMILESCS/C(=C(\N)c1cccc(C)c1)S(C)=O
InChIInChI=1S/C11H15NOS2/c1-8-5-4-6-9(7-8)10(12)11(14-2)15(3)13/h4-7H,12H2,1-3H3/b11-10+
InChIKeyZOOPJCCIPLMACW-ZHACJKMWSA-N
MW241.38 g/mol
LogP2.32
Rot. Bonds3

About (E)-1-(3-methylphenyl)-2-methylsulfanyl-2-methylsulfinylethenamine

(E)-1-(3-methylphenyl)-2-methylsulfanyl-2-methylsulfinylethenamine (PubChem CID 88817614) has the molecular formula C11H15NOS2 and a molecular weight of 241.38 g/mol. Its IUPAC name is (E)-1-(3-methylphenyl)-2-methylsulfanyl-2-methylsulfinylethenamine.

Molecular Properties

Compound Name(E)-1-(3-methylphenyl)-2-methylsulfanyl-2-methylsulfinylethenamine
PubChem CID88817614
Molecular FormulaC11H15NOS2
Molecular Weight241.38 g/mol
Exact Mass241.06
IUPAC Name(E)-1-(3-methylphenyl)-2-methylsulfanyl-2-methylsulfinylethenamine
SMILESCS/C(=C(\N)c1cccc(C)c1)S(C)=O
InChIInChI=1S/C11H15NOS2/c1-8-5-4-6-9(7-8)10(12)11(14-2)15(3)13/h4-7H,12H2,1-3H3/b11-10+
InChIKeyZOOPJCCIPLMACW-ZHACJKMWSA-N
XLogP2.32
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylphenyl)-methylsulfinylmethanone
CID 87156160
(E)-2-(3-methylphenyl)but-2-enediamide
CID 174999639
3-methylbenzamide;2-methylpropane
CID 160767336
3-methyl-N-methylsulfinylbenzamide
CID 122549811
1,2-bis(3-methylphenyl)ethene-1,2-dithiol
CID 76563900
bis(3-methylphenyl)methanone
CID 17848
argon;ethane;3-methylbenzamide;molecular hydrogen
CID 144862945
S-methylsulfanyl 3-methylbenzenecarbothioate
CID 87155089
3-methylbenzoic acid
CID 7418
(3-methylbenzoyl)azanium
CID 153183849
N'-hydroxy-3-methylbenzenecarboximidamide
CID 162202893
methyl 3-methylbenzenecarboximidothioate
CID 58503711

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-methylphenyl)-2-methylsulfanyl-2-methylsulfinylethenamine?
The IUPAC name of (E)-1-(3-methylphenyl)-2-methylsulfanyl-2-methylsulfinylethenamine (CID 88817614) is (E)-1-(3-methylphenyl)-2-methylsulfanyl-2-methylsulfinylethenamine.
What is the SMILES notation for (E)-1-(3-methylphenyl)-2-methylsulfanyl-2-methylsulfinylethenamine?
The canonical SMILES for (E)-1-(3-methylphenyl)-2-methylsulfanyl-2-methylsulfinylethenamine is CS/C(=C(\N)c1cccc(C)c1)S(C)=O.
What is the InChIKey of (E)-1-(3-methylphenyl)-2-methylsulfanyl-2-methylsulfinylethenamine?
The InChIKey is ZOOPJCCIPLMACW-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H15NOS2/c1-8-5-4-6-9(7-8)10(12)11(14-2)15(3)13/h4-7H,12H2,1-3H3/b11-10+.
What are the key properties of (E)-1-(3-methylphenyl)-2-methylsulfanyl-2-methylsulfinylethenamine?
(E)-1-(3-methylphenyl)-2-methylsulfanyl-2-methylsulfinylethenamine has a molecular weight of 241.38 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-methylphenyl)-2-methylsulfanyl-2-methylsulfinylethenamine is sourced from PubChem (CID 88817614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).