(E)-N,N-dimethyl-3-methylsulfanylbut-1-en-1-amine

C7H15NS — CID 46185759

IUPAC(E)-N,N-dimethyl-3-methylsulfanylbut-1-en-1-amine
SMILESCSC(C)/C=C/N(C)C
InChIInChI=1S/C7H15NS/c1-7(9-4)5-6-8(2)3/h5-7H,1-4H3/b6-5+
InChIKeyJIRXVXHPEJBVJN-AATRIKPKSA-N
MW145.27 g/mol
LogP1.81
Rot. Bonds3

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

(E)-N,N-dimethyl-3-methylsulfanylbut-1-en-1-amine (PubChem CID 46185759) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-methylsulfanylbut-1-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-methylsulfanylbut-1-en-1-amine
PubChem CID46185759
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name(E)-N,N-dimethyl-3-methylsulfanylbut-1-en-1-amine
SMILESCSC(C)/C=C/N(C)C
InChIInChI=1S/C7H15NS/c1-7(9-4)5-6-8(2)3/h5-7H,1-4H3/b6-5+
InChIKeyJIRXVXHPEJBVJN-AATRIKPKSA-N
XLogP1.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.81
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-methylsulfanylbut-1-en-1-amine?
The IUPAC name of (E)-N,N-dimethyl-3-methylsulfanylbut-1-en-1-amine (CID 46185759) is (E)-N,N-dimethyl-3-methylsulfanylbut-1-en-1-amine.
What is the SMILES notation for (E)-N,N-dimethyl-3-methylsulfanylbut-1-en-1-amine?
The canonical SMILES for (E)-N,N-dimethyl-3-methylsulfanylbut-1-en-1-amine is CSC(C)/C=C/N(C)C.
What is the InChIKey of (E)-N,N-dimethyl-3-methylsulfanylbut-1-en-1-amine?
The InChIKey is JIRXVXHPEJBVJN-AATRIKPKSA-N. The full InChI is InChI=1S/C7H15NS/c1-7(9-4)5-6-8(2)3/h5-7H,1-4H3/b6-5+.
What are the key properties of (E)-N,N-dimethyl-3-methylsulfanylbut-1-en-1-amine?
(E)-N,N-dimethyl-3-methylsulfanylbut-1-en-1-amine has a molecular weight of 145.27 g/mol, XLogP of 1.81, 3 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-methylsulfanylbut-1-en-1-amine is sourced from PubChem (CID 46185759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).