(2R)-2-amino-1-(1-benzothiophen-3-yl)propan-2-ol

C11H13NOS — CID 68846114

IUPAC(2R)-2-amino-1-(1-benzothiophen-3-yl)propan-2-ol
SMILESC[C@@](N)(O)Cc1csc2ccccc12
InChIInChI=1S/C11H13NOS/c1-11(12,13)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,13H,6,12H2,1H3/t11-/m1/s1
InChIKeyWURPCNQQBHDVLT-LLVKDONJSA-N
MW207.30 g/mol
LogP2.11
Rot. Bonds2

About (2R)-2-amino-1-(1-benzothiophen-3-yl)propan-2-ol

(2R)-2-amino-1-(1-benzothiophen-3-yl)propan-2-ol (PubChem CID 68846114) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is (2R)-2-amino-1-(1-benzothiophen-3-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-2-amino-1-(1-benzothiophen-3-yl)propan-2-ol
PubChem CID68846114
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name(2R)-2-amino-1-(1-benzothiophen-3-yl)propan-2-ol
SMILESC[C@@](N)(O)Cc1csc2ccccc12
InChIInChI=1S/C11H13NOS/c1-11(12,13)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,13H,6,12H2,1H3/t11-/m1/s1
InChIKeyWURPCNQQBHDVLT-LLVKDONJSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-3-(1-benzothiophen-3-yl)-2-methylpropan-1-ol
CID 106506221
3-(3-bromo-2,2-dimethylpropyl)-1-benzothiophene
CID 66048185
2-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine
CID 63738676
3-(2,2,2-trifluoroethyl)-1-benzothiophene
CID 116932204
1-(1-benzothiophen-3-yl)-2-phenylbutan-2-ol
CID 65146896
3-(1-benzothiophen-3-yl)-2,2-dimethyl-1-phenylpropan-1-amine
CID 91011346
4-[1-(1-benzothiophen-3-yl)-2-hydroxypropan-2-yl]benzonitrile
CID 115481651
2-(1-benzothiophen-3-ylmethyl)-2-propan-2-ylpropane-1,3-diol
CID 79449938
1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)propan-2-ol
CID 65144887
ethyl 2-(1-benzothiophen-3-ylmethyl)-2-methylbut-3-enoate
CID 102639305
1-(1-benzothiophen-3-yl)-2-piperidin-3-ylpropan-2-ol
CID 65145479
1-(1-benzothiophen-3-yl)-4-chloro-2-phenylbutan-2-ol
CID 116696301

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(1-benzothiophen-3-yl)propan-2-ol?
The IUPAC name of (2R)-2-amino-1-(1-benzothiophen-3-yl)propan-2-ol (CID 68846114) is (2R)-2-amino-1-(1-benzothiophen-3-yl)propan-2-ol.
What is the SMILES notation for (2R)-2-amino-1-(1-benzothiophen-3-yl)propan-2-ol?
The canonical SMILES for (2R)-2-amino-1-(1-benzothiophen-3-yl)propan-2-ol is C[C@@](N)(O)Cc1csc2ccccc12.
What is the InChIKey of (2R)-2-amino-1-(1-benzothiophen-3-yl)propan-2-ol?
The InChIKey is WURPCNQQBHDVLT-LLVKDONJSA-N. The full InChI is InChI=1S/C11H13NOS/c1-11(12,13)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,13H,6,12H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-amino-1-(1-benzothiophen-3-yl)propan-2-ol?
(2R)-2-amino-1-(1-benzothiophen-3-yl)propan-2-ol has a molecular weight of 207.30 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(1-benzothiophen-3-yl)propan-2-ol is sourced from PubChem (CID 68846114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).