3-N-methyl-4-methylsulfanylbut-1-ene-2,3-diamine

C6H14N2S — CID 88573547

IUPAC3-N-methyl-4-methylsulfanylbut-1-ene-2,3-diamine
SMILESC=C(N)C(CSC)NC
InChIInChI=1S/C6H14N2S/c1-5(7)6(8-2)4-9-3/h6,8H,1,4,7H2,2-3H3
InChIKeyLKSAILDPYBYZJL-UHFFFAOYSA-N
MW146.26 g/mol
LogP0.41
Rot. Bonds4

About 3-N-methyl-4-methylsulfanylbut-1-ene-2,3-diamine

3-N-methyl-4-methylsulfanylbut-1-ene-2,3-diamine (PubChem CID 88573547) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is 3-N-methyl-4-methylsulfanylbut-1-ene-2,3-diamine.

Molecular Properties

Compound Name3-N-methyl-4-methylsulfanylbut-1-ene-2,3-diamine
PubChem CID88573547
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC Name3-N-methyl-4-methylsulfanylbut-1-ene-2,3-diamine
SMILESC=C(N)C(CSC)NC
InChIInChI=1S/C6H14N2S/c1-5(7)6(8-2)4-9-3/h6,8H,1,4,7H2,2-3H3
InChIKeyLKSAILDPYBYZJL-UHFFFAOYSA-N
XLogP0.41
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-4-methylsulfanylbut-1-ene-2,3-diamine?
The IUPAC name of 3-N-methyl-4-methylsulfanylbut-1-ene-2,3-diamine (CID 88573547) is 3-N-methyl-4-methylsulfanylbut-1-ene-2,3-diamine.
What is the SMILES notation for 3-N-methyl-4-methylsulfanylbut-1-ene-2,3-diamine?
The canonical SMILES for 3-N-methyl-4-methylsulfanylbut-1-ene-2,3-diamine is C=C(N)C(CSC)NC.
What is the InChIKey of 3-N-methyl-4-methylsulfanylbut-1-ene-2,3-diamine?
The InChIKey is LKSAILDPYBYZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S/c1-5(7)6(8-2)4-9-3/h6,8H,1,4,7H2,2-3H3.
What are the key properties of 3-N-methyl-4-methylsulfanylbut-1-ene-2,3-diamine?
3-N-methyl-4-methylsulfanylbut-1-ene-2,3-diamine has a molecular weight of 146.26 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-4-methylsulfanylbut-1-ene-2,3-diamine is sourced from PubChem (CID 88573547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).