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

C13H17NOS2 — CID 81189937

IUPAC1-(1-benzothiophen-3-ylmethylsulfinyl)-2-methylpropan-2-amine
SMILESCC(C)(N)CS(=O)Cc1csc2ccccc12
InChIInChI=1S/C13H17NOS2/c1-13(2,14)9-17(15)8-10-7-16-12-6-4-3-5-11(10)12/h3-7H,8-9,14H2,1-2H3
InChIKeyYVDAZOAVWXFVMP-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.89
Rot. Bonds4

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

1-(1-benzothiophen-3-ylmethylsulfinyl)-2-methylpropan-2-amine (PubChem CID 81189937) has the molecular formula C13H17NOS2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-ylmethylsulfinyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-ylmethylsulfinyl)-2-methylpropan-2-amine
PubChem CID81189937
Molecular FormulaC13H17NOS2
Molecular Weight267.42 g/mol
Exact Mass267.08
IUPAC Name1-(1-benzothiophen-3-ylmethylsulfinyl)-2-methylpropan-2-amine
SMILESCC(C)(N)CS(=O)Cc1csc2ccccc12
InChIInChI=1S/C13H17NOS2/c1-13(2,14)9-17(15)8-10-7-16-12-6-4-3-5-11(10)12/h3-7H,8-9,14H2,1-2H3
InChIKeyYVDAZOAVWXFVMP-UHFFFAOYSA-N
XLogP2.89
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzothiophen-3-ylmethylsulfinyl)acetic acid
CID 63736911
(2R)-2-amino-1-(1-benzothiophen-3-yl)propan-2-ol
CID 68846114
(2R)-2-acetamido-3-(1-benzothiophen-3-ylmethylsulfinyl)propanoic acid
CID 107775480
1-N-[2-(1-benzothiophen-3-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136311
2-(1-benzothiophen-3-ylmethylsulfinyl)pyridin-3-amine
CID 63737087
3-(3-bromo-2,2-dimethylpropyl)-1-benzothiophene
CID 66048185
2-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine
CID 63738676
2-(1-benzothiophen-3-ylmethylsulfinyl)-4-fluoroaniline
CID 81183166
ethane;3-ethyl-1-benzothiophene;bis(3-methyl-1-benzothiophene)
CID 142901816
3-N-(1-benzothiophen-3-ylmethyl)-3-methylbutane-1,3-diamine
CID 115134773
2-(aminomethyl)-3-(1-benzothiophen-3-yl)-2-methylpropan-1-ol
CID 106506221
N-(2-amino-2-methylpropyl)-4-(1-benzothiophen-3-yl)butanamide;hydrochloride
CID 119629500

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-ylmethylsulfinyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(1-benzothiophen-3-ylmethylsulfinyl)-2-methylpropan-2-amine (CID 81189937) is 1-(1-benzothiophen-3-ylmethylsulfinyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-ylmethylsulfinyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(1-benzothiophen-3-ylmethylsulfinyl)-2-methylpropan-2-amine is CC(C)(N)CS(=O)Cc1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-ylmethylsulfinyl)-2-methylpropan-2-amine?
The InChIKey is YVDAZOAVWXFVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS2/c1-13(2,14)9-17(15)8-10-7-16-12-6-4-3-5-11(10)12/h3-7H,8-9,14H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-3-ylmethylsulfinyl)-2-methylpropan-2-amine?
1-(1-benzothiophen-3-ylmethylsulfinyl)-2-methylpropan-2-amine has a molecular weight of 267.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-ylmethylsulfinyl)-2-methylpropan-2-amine is sourced from PubChem (CID 81189937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).