1-N-methyl-1-N-(1-methylsulfanylbutan-2-yl)-1-(3-methylthiophen-2-yl)propane-1,2-diamine

C14H26N2S2 — CID 112657584

IUPAC1-N-methyl-1-N-(1-methylsulfanylbutan-2-yl)-1-(3-methylthiophen-2-yl)propane-1,2-diamine
SMILESCCC(CSC)N(C)C(c1sccc1C)C(C)N
InChIInChI=1S/C14H26N2S2/c1-6-12(9-17-5)16(4)13(11(3)15)14-10(2)7-8-18-14/h7-8,11-13H,6,9,15H2,1-5H3
InChIKeyZKUJKHIJZSFBPA-UHFFFAOYSA-N
MW286.51 g/mol
LogP3.52
Rot. Bonds7

About 1-N-methyl-1-N-(1-methylsulfanylbutan-2-yl)-1-(3-methylthiophen-2-yl)propane-1,2-diamine

1-N-methyl-1-N-(1-methylsulfanylbutan-2-yl)-1-(3-methylthiophen-2-yl)propane-1,2-diamine (PubChem CID 112657584) has the molecular formula C14H26N2S2 and a molecular weight of 286.51 g/mol. Its IUPAC name is 1-N-methyl-1-N-(1-methylsulfanylbutan-2-yl)-1-(3-methylthiophen-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(1-methylsulfanylbutan-2-yl)-1-(3-methylthiophen-2-yl)propane-1,2-diamine
PubChem CID112657584
Molecular FormulaC14H26N2S2
Molecular Weight286.51 g/mol
Exact Mass286.15
IUPAC Name1-N-methyl-1-N-(1-methylsulfanylbutan-2-yl)-1-(3-methylthiophen-2-yl)propane-1,2-diamine
SMILESCCC(CSC)N(C)C(c1sccc1C)C(C)N
InChIInChI=1S/C14H26N2S2/c1-6-12(9-17-5)16(4)13(11(3)15)14-10(2)7-8-18-14/h7-8,11-13H,6,9,15H2,1-5H3
InChIKeyZKUJKHIJZSFBPA-UHFFFAOYSA-N
XLogP3.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.51
LogP ≤ 53.52
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-methylsulfanylbutan-2-yl)-1-(3-methylthiophen-2-yl)propane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(1-methylsulfanylbutan-2-yl)-1-(3-methylthiophen-2-yl)propane-1,2-diamine (CID 112657584) is 1-N-methyl-1-N-(1-methylsulfanylbutan-2-yl)-1-(3-methylthiophen-2-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(1-methylsulfanylbutan-2-yl)-1-(3-methylthiophen-2-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(1-methylsulfanylbutan-2-yl)-1-(3-methylthiophen-2-yl)propane-1,2-diamine is CCC(CSC)N(C)C(c1sccc1C)C(C)N.
What is the InChIKey of 1-N-methyl-1-N-(1-methylsulfanylbutan-2-yl)-1-(3-methylthiophen-2-yl)propane-1,2-diamine?
The InChIKey is ZKUJKHIJZSFBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S2/c1-6-12(9-17-5)16(4)13(11(3)15)14-10(2)7-8-18-14/h7-8,11-13H,6,9,15H2,1-5H3.
What are the key properties of 1-N-methyl-1-N-(1-methylsulfanylbutan-2-yl)-1-(3-methylthiophen-2-yl)propane-1,2-diamine?
1-N-methyl-1-N-(1-methylsulfanylbutan-2-yl)-1-(3-methylthiophen-2-yl)propane-1,2-diamine has a molecular weight of 286.51 g/mol, XLogP of 3.52, 7 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-methylsulfanylbutan-2-yl)-1-(3-methylthiophen-2-yl)propane-1,2-diamine is sourced from PubChem (CID 112657584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).