2-N-(1-benzothiophen-3-yl)-2-N-methylpropane-1,2-diamine

C12H16N2S — CID 117039948

IUPAC2-N-(1-benzothiophen-3-yl)-2-N-methylpropane-1,2-diamine
SMILESCC(CN)N(C)c1csc2ccccc12
InChIInChI=1S/C12H16N2S/c1-9(7-13)14(2)11-8-15-12-6-4-3-5-10(11)12/h3-6,8-9H,7,13H2,1-2H3
InChIKeyWBZVBTYSLGESND-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.68
Rot. Bonds3

About 2-N-(1-benzothiophen-3-yl)-2-N-methylpropane-1,2-diamine

2-N-(1-benzothiophen-3-yl)-2-N-methylpropane-1,2-diamine (PubChem CID 117039948) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-N-(1-benzothiophen-3-yl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-benzothiophen-3-yl)-2-N-methylpropane-1,2-diamine
PubChem CID117039948
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name2-N-(1-benzothiophen-3-yl)-2-N-methylpropane-1,2-diamine
SMILESCC(CN)N(C)c1csc2ccccc12
InChIInChI=1S/C12H16N2S/c1-9(7-13)14(2)11-8-15-12-6-4-3-5-10(11)12/h3-6,8-9H,7,13H2,1-2H3
InChIKeyWBZVBTYSLGESND-UHFFFAOYSA-N
XLogP2.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-benzothiophen-3-yl(methyl)amino]-3-methylbutan-1-ol
CID 115137486
2-(aminomethyl)-N-(1-benzothiophen-3-yl)-N-methylbutanamide
CID 115186945
2-N-(2-bromophenyl)-2-N-methylpropane-1,2-diamine
CID 82021054
N'-(1-benzothiophen-3-yl)-N,N'-dimethylmethanediamine
CID 115226761
3-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-ol
CID 60733920
N'-(1-benzothiophen-3-yl)-N',2,2-trimethylbutane-1,4-diamine
CID 115204843
1-benzothiophen-3-yl(methyl)cyanamide
CID 117043270
1-(1-benzothiophen-3-yl)-N-methyl-N-propylethane-1,2-diamine
CID 62699054
2-N-(2,1-benzothiazol-3-yl)-2-N-methylpropane-1,2-diamine
CID 104556666
N-(1-benzothiophen-3-yl)-2-hydroxy-N-methylacetamide
CID 115139778
1-(1-benzothiophen-3-yl)-N,N,2-trimethylbutane-1,4-diamine
CID 116905416
1-(1-benzothiophen-3-yl)-N,N-dimethylethanamine
CID 116914688

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzothiophen-3-yl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(1-benzothiophen-3-yl)-2-N-methylpropane-1,2-diamine (CID 117039948) is 2-N-(1-benzothiophen-3-yl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(1-benzothiophen-3-yl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(1-benzothiophen-3-yl)-2-N-methylpropane-1,2-diamine is CC(CN)N(C)c1csc2ccccc12.
What is the InChIKey of 2-N-(1-benzothiophen-3-yl)-2-N-methylpropane-1,2-diamine?
The InChIKey is WBZVBTYSLGESND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-9(7-13)14(2)11-8-15-12-6-4-3-5-10(11)12/h3-6,8-9H,7,13H2,1-2H3.
What are the key properties of 2-N-(1-benzothiophen-3-yl)-2-N-methylpropane-1,2-diamine?
2-N-(1-benzothiophen-3-yl)-2-N-methylpropane-1,2-diamine has a molecular weight of 220.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-benzothiophen-3-yl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 117039948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).