1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-(5-methylthiophen-2-yl)propane-1,2-diamine

C13H24N2S2 — CID 112657665

IUPAC1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-(5-methylthiophen-2-yl)propane-1,2-diamine
SMILESCSCC(C)N(C)C(c1ccc(C)s1)C(C)N
InChIInChI=1S/C13H24N2S2/c1-9(8-16-5)15(4)13(11(3)14)12-7-6-10(2)17-12/h6-7,9,11,13H,8,14H2,1-5H3
InChIKeyOLUUYCOQMTUKCN-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.13
Rot. Bonds6

About 1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-(5-methylthiophen-2-yl)propane-1,2-diamine

1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-(5-methylthiophen-2-yl)propane-1,2-diamine (PubChem CID 112657665) has the molecular formula C13H24N2S2 and a molecular weight of 272.48 g/mol. Its IUPAC name is 1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-(5-methylthiophen-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-(5-methylthiophen-2-yl)propane-1,2-diamine
PubChem CID112657665
Molecular FormulaC13H24N2S2
Molecular Weight272.48 g/mol
Exact Mass272.14
IUPAC Name1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-(5-methylthiophen-2-yl)propane-1,2-diamine
SMILESCSCC(C)N(C)C(c1ccc(C)s1)C(C)N
InChIInChI=1S/C13H24N2S2/c1-9(8-16-5)15(4)13(11(3)14)12-7-6-10(2)17-12/h6-7,9,11,13H,8,14H2,1-5H3
InChIKeyOLUUYCOQMTUKCN-UHFFFAOYSA-N
XLogP3.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-(5-methylthiophen-2-yl)propane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-(5-methylthiophen-2-yl)propane-1,2-diamine (CID 112657665) is 1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-(5-methylthiophen-2-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-(5-methylthiophen-2-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-(5-methylthiophen-2-yl)propane-1,2-diamine is CSCC(C)N(C)C(c1ccc(C)s1)C(C)N.
What is the InChIKey of 1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-(5-methylthiophen-2-yl)propane-1,2-diamine?
The InChIKey is OLUUYCOQMTUKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S2/c1-9(8-16-5)15(4)13(11(3)14)12-7-6-10(2)17-12/h6-7,9,11,13H,8,14H2,1-5H3.
What are the key properties of 1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-(5-methylthiophen-2-yl)propane-1,2-diamine?
1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-(5-methylthiophen-2-yl)propane-1,2-diamine has a molecular weight of 272.48 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-(5-methylthiophen-2-yl)propane-1,2-diamine is sourced from PubChem (CID 112657665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).