(E)-1-N,2-N-dimethyl-1-methylsulfanylprop-1-ene-1,2-diamine

C6H14N2S — CID 130317060

IUPAC(E)-1-N,2-N-dimethyl-1-methylsulfanylprop-1-ene-1,2-diamine
SMILESCN/C(C)=C(\NC)SC
InChIInChI=1S/C6H14N2S/c1-5(7-2)6(8-3)9-4/h7-8H,1-4H3/b6-5+
InChIKeyMWARSDDSYMDSMJ-AATRIKPKSA-N
MW146.26 g/mol
LogP0.98
Rot. Bonds3

About (E)-1-N,2-N-dimethyl-1-methylsulfanylprop-1-ene-1,2-diamine

(E)-1-N,2-N-dimethyl-1-methylsulfanylprop-1-ene-1,2-diamine (PubChem CID 130317060) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is (E)-1-N,2-N-dimethyl-1-methylsulfanylprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-1-N,2-N-dimethyl-1-methylsulfanylprop-1-ene-1,2-diamine
PubChem CID130317060
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC Name(E)-1-N,2-N-dimethyl-1-methylsulfanylprop-1-ene-1,2-diamine
SMILESCN/C(C)=C(\NC)SC
InChIInChI=1S/C6H14N2S/c1-5(7-2)6(8-3)9-4/h7-8H,1-4H3/b6-5+
InChIKeyMWARSDDSYMDSMJ-AATRIKPKSA-N
XLogP0.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-1-N,2-N-dimethyl-1-methylsulfanylprop-1-ene-1,2-diamine?
The IUPAC name of (E)-1-N,2-N-dimethyl-1-methylsulfanylprop-1-ene-1,2-diamine (CID 130317060) is (E)-1-N,2-N-dimethyl-1-methylsulfanylprop-1-ene-1,2-diamine.
What is the SMILES notation for (E)-1-N,2-N-dimethyl-1-methylsulfanylprop-1-ene-1,2-diamine?
The canonical SMILES for (E)-1-N,2-N-dimethyl-1-methylsulfanylprop-1-ene-1,2-diamine is CN/C(C)=C(\NC)SC.
What is the InChIKey of (E)-1-N,2-N-dimethyl-1-methylsulfanylprop-1-ene-1,2-diamine?
The InChIKey is MWARSDDSYMDSMJ-AATRIKPKSA-N. The full InChI is InChI=1S/C6H14N2S/c1-5(7-2)6(8-3)9-4/h7-8H,1-4H3/b6-5+.
What are the key properties of (E)-1-N,2-N-dimethyl-1-methylsulfanylprop-1-ene-1,2-diamine?
(E)-1-N,2-N-dimethyl-1-methylsulfanylprop-1-ene-1,2-diamine has a molecular weight of 146.26 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N,2-N-dimethyl-1-methylsulfanylprop-1-ene-1,2-diamine is sourced from PubChem (CID 130317060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).