(E)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine

C11H15NS — CID 6434752

IUPAC(E)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine
SMILESCN(C)C/C=C/Sc1ccccc1
InChIInChI=1S/C11H15NS/c1-12(2)9-6-10-13-11-7-4-3-5-8-11/h3-8,10H,9H2,1-2H3/b10-6+
InChIKeyMUWIULGHAOVBOB-UXBLZVDNSA-N
MW193.31 g/mol
LogP2.85
Rot. Bonds4

About (E)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine

(E)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine (PubChem CID 6434752) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine
PubChem CID6434752
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name(E)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine
SMILESCN(C)C/C=C/Sc1ccccc1
InChIInChI=1S/C11H15NS/c1-12(2)9-6-10-13-11-7-4-3-5-8-11/h3-8,10H,9H2,1-2H3/b10-6+
InChIKeyMUWIULGHAOVBOB-UXBLZVDNSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine?
The IUPAC name of (E)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine (CID 6434752) is (E)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine.
What is the SMILES notation for (E)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine?
The canonical SMILES for (E)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine is CN(C)C/C=C/Sc1ccccc1.
What is the InChIKey of (E)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine?
The InChIKey is MUWIULGHAOVBOB-UXBLZVDNSA-N. The full InChI is InChI=1S/C11H15NS/c1-12(2)9-6-10-13-11-7-4-3-5-8-11/h3-8,10H,9H2,1-2H3/b10-6+.
What are the key properties of (E)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine?
(E)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine has a molecular weight of 193.31 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-3-phenylsulfanylprop-2-en-1-amine is sourced from PubChem (CID 6434752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).