(E)-N,N-dimethyl-3-(4-methylphenyl)sulfanylprop-2-en-1-amine

C12H17NS — CID 6434753

IUPAC(E)-N,N-dimethyl-3-(4-methylphenyl)sulfanylprop-2-en-1-amine
SMILESCc1ccc(S/C=C/CN(C)C)cc1
InChIInChI=1S/C12H17NS/c1-11-5-7-12(8-6-11)14-10-4-9-13(2)3/h4-8,10H,9H2,1-3H3/b10-4+
InChIKeyNZZLLPOUUVOPNH-ONNFQVAWSA-N
MW207.34 g/mol
LogP3.16
Rot. Bonds4

About (E)-N,N-dimethyl-3-(4-methylphenyl)sulfanylprop-2-en-1-amine

(E)-N,N-dimethyl-3-(4-methylphenyl)sulfanylprop-2-en-1-amine (PubChem CID 6434753) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-(4-methylphenyl)sulfanylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-(4-methylphenyl)sulfanylprop-2-en-1-amine
PubChem CID6434753
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name(E)-N,N-dimethyl-3-(4-methylphenyl)sulfanylprop-2-en-1-amine
SMILESCc1ccc(S/C=C/CN(C)C)cc1
InChIInChI=1S/C12H17NS/c1-11-5-7-12(8-6-11)14-10-4-9-13(2)3/h4-8,10H,9H2,1-3H3/b10-4+
InChIKeyNZZLLPOUUVOPNH-ONNFQVAWSA-N
XLogP3.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.16
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-(4-methylphenyl)sulfanylprop-2-en-1-amine?
The IUPAC name of (E)-N,N-dimethyl-3-(4-methylphenyl)sulfanylprop-2-en-1-amine (CID 6434753) is (E)-N,N-dimethyl-3-(4-methylphenyl)sulfanylprop-2-en-1-amine.
What is the SMILES notation for (E)-N,N-dimethyl-3-(4-methylphenyl)sulfanylprop-2-en-1-amine?
The canonical SMILES for (E)-N,N-dimethyl-3-(4-methylphenyl)sulfanylprop-2-en-1-amine is Cc1ccc(S/C=C/CN(C)C)cc1.
What is the InChIKey of (E)-N,N-dimethyl-3-(4-methylphenyl)sulfanylprop-2-en-1-amine?
The InChIKey is NZZLLPOUUVOPNH-ONNFQVAWSA-N. The full InChI is InChI=1S/C12H17NS/c1-11-5-7-12(8-6-11)14-10-4-9-13(2)3/h4-8,10H,9H2,1-3H3/b10-4+.
What are the key properties of (E)-N,N-dimethyl-3-(4-methylphenyl)sulfanylprop-2-en-1-amine?
(E)-N,N-dimethyl-3-(4-methylphenyl)sulfanylprop-2-en-1-amine has a molecular weight of 207.34 g/mol, XLogP of 3.16, 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-(4-methylphenyl)sulfanylprop-2-en-1-amine is sourced from PubChem (CID 6434753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).