1-amino-2-(1-benzothiophen-2-yl)propan-2-ol

C11H13NOS — CID 86261786

IUPAC1-amino-2-(1-benzothiophen-2-yl)propan-2-ol
SMILESCC(O)(CN)c1cc2ccccc2s1
InChIInChI=1S/C11H13NOS/c1-11(13,7-12)10-6-8-4-2-3-5-9(8)14-10/h2-6,13H,7,12H2,1H3
InChIKeyNCQJTSRNYWDNCQ-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.07
Rot. Bonds2

About 1-amino-2-(1-benzothiophen-2-yl)propan-2-ol

1-amino-2-(1-benzothiophen-2-yl)propan-2-ol (PubChem CID 86261786) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 1-amino-2-(1-benzothiophen-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-(1-benzothiophen-2-yl)propan-2-ol
PubChem CID86261786
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name1-amino-2-(1-benzothiophen-2-yl)propan-2-ol
SMILESCC(O)(CN)c1cc2ccccc2s1
InChIInChI=1S/C11H13NOS/c1-11(13,7-12)10-6-8-4-2-3-5-9(8)14-10/h2-6,13H,7,12H2,1H3
InChIKeyNCQJTSRNYWDNCQ-UHFFFAOYSA-N
XLogP2.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclohexanol, 1-benzo[b]thien-2-yl-
CID 398367
2-Amino-1-(1-benzothiophen-2-yl)ethan-1-ol
CID 2756344
2-[2-(Dimethylsulfamoylamino)-1-hydroxyethyl]-1-benzothiophene
CID 71967723
2-[2-[[Ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-1-benzothiophene
CID 84589582
(S)-2-(1-benzothiophen-2-yl)-1-(o-fluorophenylsulfonylamino)-2-propanol
CID 99980328
(1S)-2-amino-1-(1-benzothiophen-2-yl)ethan-1-ol hydrochloride
CID 132398930
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-5-methylthiophene-2-sulfonamide
CID 86264006
(E)-N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-2-phenylethenesulfonamide
CID 86264007
N-[(S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]2,2-dimethylpropionamide
CID 99979804
(S)-2-(1-benzothiophen-2-yl)-1-(mesylamino)-2-propanol
CID 99980291
(R)-1-(1-benzothiophen-3-yl)-2-(mesylamino)-1-ethanol
CID 100725631
1-(Benzo[b]thiophen-2-yl)cyclopentanol
CID 398374

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(1-benzothiophen-2-yl)propan-2-ol?
The IUPAC name of 1-amino-2-(1-benzothiophen-2-yl)propan-2-ol (CID 86261786) is 1-amino-2-(1-benzothiophen-2-yl)propan-2-ol.
What is the SMILES notation for 1-amino-2-(1-benzothiophen-2-yl)propan-2-ol?
The canonical SMILES for 1-amino-2-(1-benzothiophen-2-yl)propan-2-ol is CC(O)(CN)c1cc2ccccc2s1.
What is the InChIKey of 1-amino-2-(1-benzothiophen-2-yl)propan-2-ol?
The InChIKey is NCQJTSRNYWDNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-11(13,7-12)10-6-8-4-2-3-5-9(8)14-10/h2-6,13H,7,12H2,1H3.
What are the key properties of 1-amino-2-(1-benzothiophen-2-yl)propan-2-ol?
1-amino-2-(1-benzothiophen-2-yl)propan-2-ol has a molecular weight of 207.30 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(1-benzothiophen-2-yl)propan-2-ol is sourced from PubChem (CID 86261786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).