2-(1-benzothiophen-3-ylsulfanyl)-2-methylpropan-1-amine

C12H15NS2 — CID 116853574

IUPAC2-(1-benzothiophen-3-ylsulfanyl)-2-methylpropan-1-amine
SMILESCC(C)(CN)Sc1csc2ccccc12
InChIInChI=1S/C12H15NS2/c1-12(2,8-13)15-11-7-14-10-6-4-3-5-9(10)11/h3-7H,8,13H2,1-2H3
InChIKeyLIDWDHLIGNPEHO-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.73
Rot. Bonds3

About 2-(1-benzothiophen-3-ylsulfanyl)-2-methylpropan-1-amine

2-(1-benzothiophen-3-ylsulfanyl)-2-methylpropan-1-amine (PubChem CID 116853574) has the molecular formula C12H15NS2 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-ylsulfanyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-ylsulfanyl)-2-methylpropan-1-amine
PubChem CID116853574
Molecular FormulaC12H15NS2
Molecular Weight237.39 g/mol
Exact Mass237.06
IUPAC Name2-(1-benzothiophen-3-ylsulfanyl)-2-methylpropan-1-amine
SMILESCC(C)(CN)Sc1csc2ccccc12
InChIInChI=1S/C12H15NS2/c1-12(2,8-13)15-11-7-14-10-6-4-3-5-9(10)11/h3-7H,8,13H2,1-2H3
InChIKeyLIDWDHLIGNPEHO-UHFFFAOYSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzothiophen-3-ylsulfanyl)-2,2-dimethylpropanoic acid
CID 116853067
2-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine
CID 63738676
N'-(1-benzothiophen-3-yl)-2-ethylpropane-1,3-diamine
CID 115251280
2-(aminomethyl)-3-(1-benzothiophen-3-yl)-2-methylpropan-1-ol
CID 106506221
3-(1-benzothiophen-3-yl)-2,2-dimethyl-1-phenylpropan-1-amine
CID 91011346
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
(2R)-2-amino-1-(1-benzothiophen-3-yl)propan-2-ol
CID 68846114
N'-(1-benzothiophen-3-yl)-N',2,2-trimethylbutane-1,4-diamine
CID 115204843
3-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-ol
CID 60733920
2-amino-1-(1-benzothiophen-3-yl)ethanethiol
CID 116868698
1-(1-benzothiophen-3-yl)-3,4,4-trimethylpentan-1-amine
CID 63833767
3-N-(1-benzothiophen-3-ylmethyl)-3-methylbutane-1,3-diamine
CID 115134773

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-ylsulfanyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(1-benzothiophen-3-ylsulfanyl)-2-methylpropan-1-amine (CID 116853574) is 2-(1-benzothiophen-3-ylsulfanyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(1-benzothiophen-3-ylsulfanyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(1-benzothiophen-3-ylsulfanyl)-2-methylpropan-1-amine is CC(C)(CN)Sc1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-ylsulfanyl)-2-methylpropan-1-amine?
The InChIKey is LIDWDHLIGNPEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS2/c1-12(2,8-13)15-11-7-14-10-6-4-3-5-9(10)11/h3-7H,8,13H2,1-2H3.
What are the key properties of 2-(1-benzothiophen-3-ylsulfanyl)-2-methylpropan-1-amine?
2-(1-benzothiophen-3-ylsulfanyl)-2-methylpropan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-ylsulfanyl)-2-methylpropan-1-amine is sourced from PubChem (CID 116853574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).