1-(1-benzothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-2-amine

C13H17NS2 — CID 63736738

IUPAC1-(1-benzothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-2-amine
SMILESCNC(CSC)Cc1csc2ccccc12
InChIInChI=1S/C13H17NS2/c1-14-11(9-15-2)7-10-8-16-13-6-4-3-5-12(10)13/h3-6,8,11,14H,7,9H2,1-2H3
InChIKeyOLUFYJIWTZXXMS-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.39
Rot. Bonds5

About 1-(1-benzothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-2-amine

1-(1-benzothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-2-amine (PubChem CID 63736738) has the molecular formula C13H17NS2 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-2-amine
PubChem CID63736738
Molecular FormulaC13H17NS2
Molecular Weight251.42 g/mol
Exact Mass251.08
IUPAC Name1-(1-benzothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-2-amine
SMILESCNC(CSC)Cc1csc2ccccc12
InChIInChI=1S/C13H17NS2/c1-14-11(9-15-2)7-10-8-16-13-6-4-3-5-12(10)13/h3-6,8,11,14H,7,9H2,1-2H3
InChIKeyOLUFYJIWTZXXMS-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine
CID 63738839
1-(1-benzothiophen-3-yl)-N,4,4-trimethylpentan-2-amine
CID 63889811
1-(1-benzothiophen-3-yl)-N-methylhexan-3-amine
CID 63737912
1-(1-benzothiophen-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine
CID 63739349
1-(1-benzothiophen-3-yl)butan-2-ylhydrazine
CID 105201011
3-(1-benzothiophen-3-ylmethylamino)-4-methylsulfanylbutan-1-ol
CID 111449640
3-(1-benzothiophen-3-yl)-N,2-dimethylpropan-1-amine
CID 63739036
1-(1-benzothiophen-3-yl)-N-methyl-3-propylhexan-2-amine
CID 115823570
3-(1-benzothiophen-3-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244750
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
1-(1-benzothiophen-3-yl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 65138997
1-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-2-amine
CID 79412102

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-2-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-2-amine (CID 63736738) is 1-(1-benzothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-2-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-2-amine is CNC(CSC)Cc1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-2-amine?
The InChIKey is OLUFYJIWTZXXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS2/c1-14-11(9-15-2)7-10-8-16-13-6-4-3-5-12(10)13/h3-6,8,11,14H,7,9H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-2-amine?
1-(1-benzothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-2-amine has a molecular weight of 251.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-2-amine is sourced from PubChem (CID 63736738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).