N-[(2-ethenylphenyl)methyl-dimethyl-λ4-sulfanyl]-N-methylmethanamine

C13H21NS — CID 138459298

IUPACN-[(2-ethenylphenyl)methyl-dimethyl-λ4-sulfanyl]-N-methylmethanamine
SMILESC=Cc1ccccc1CS(C)(C)N(C)C
InChIInChI=1S/C13H21NS/c1-6-12-9-7-8-10-13(12)11-15(4,5)14(2)3/h6-10H,1,11H2,2-5H3
InChIKeyAWKQFOKNKFQFDQ-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.37
Rot. Bonds4

About N-[(2-ethenylphenyl)methyl-dimethyl-λ4-sulfanyl]-N-methylmethanamine

N-[(2-ethenylphenyl)methyl-dimethyl-λ4-sulfanyl]-N-methylmethanamine (PubChem CID 138459298) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is N-[(2-ethenylphenyl)methyl-dimethyl-λ4-sulfanyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(2-ethenylphenyl)methyl-dimethyl-λ4-sulfanyl]-N-methylmethanamine
PubChem CID138459298
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC NameN-[(2-ethenylphenyl)methyl-dimethyl-λ4-sulfanyl]-N-methylmethanamine
SMILESC=Cc1ccccc1CS(C)(C)N(C)C
InChIInChI=1S/C13H21NS/c1-6-12-9-7-8-10-13(12)11-15(4,5)14(2)3/h6-10H,1,11H2,2-5H3
InChIKeyAWKQFOKNKFQFDQ-UHFFFAOYSA-N
XLogP3.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethenylphenyl)methyl-dimethyl-λ4-sulfanyl]-N-methylmethanamine?
The IUPAC name of N-[(2-ethenylphenyl)methyl-dimethyl-λ4-sulfanyl]-N-methylmethanamine (CID 138459298) is N-[(2-ethenylphenyl)methyl-dimethyl-λ4-sulfanyl]-N-methylmethanamine.
What is the SMILES notation for N-[(2-ethenylphenyl)methyl-dimethyl-λ4-sulfanyl]-N-methylmethanamine?
The canonical SMILES for N-[(2-ethenylphenyl)methyl-dimethyl-λ4-sulfanyl]-N-methylmethanamine is C=Cc1ccccc1CS(C)(C)N(C)C.
What is the InChIKey of N-[(2-ethenylphenyl)methyl-dimethyl-λ4-sulfanyl]-N-methylmethanamine?
The InChIKey is AWKQFOKNKFQFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-6-12-9-7-8-10-13(12)11-15(4,5)14(2)3/h6-10H,1,11H2,2-5H3.
What are the key properties of N-[(2-ethenylphenyl)methyl-dimethyl-λ4-sulfanyl]-N-methylmethanamine?
N-[(2-ethenylphenyl)methyl-dimethyl-λ4-sulfanyl]-N-methylmethanamine has a molecular weight of 223.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethenylphenyl)methyl-dimethyl-λ4-sulfanyl]-N-methylmethanamine is sourced from PubChem (CID 138459298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).