(2R)-1-(1-benzothiophen-5-ylamino)propan-2-ol

C11H13NOS — CID 106932216

IUPAC(2R)-1-(1-benzothiophen-5-ylamino)propan-2-ol
SMILESC[C@@H](O)CNc1ccc2sccc2c1
InChIInChI=1S/C11H13NOS/c1-8(13)7-12-10-2-3-11-9(6-10)4-5-14-11/h2-6,8,12-13H,7H2,1H3/t8-/m1/s1
InChIKeyFFURJXXUSKMVCC-MRVPVSSYSA-N
MW207.30 g/mol
LogP2.69
Rot. Bonds3

About (2R)-1-(1-benzothiophen-5-ylamino)propan-2-ol

(2R)-1-(1-benzothiophen-5-ylamino)propan-2-ol (PubChem CID 106932216) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is (2R)-1-(1-benzothiophen-5-ylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(1-benzothiophen-5-ylamino)propan-2-ol
PubChem CID106932216
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name(2R)-1-(1-benzothiophen-5-ylamino)propan-2-ol
SMILESC[C@@H](O)CNc1ccc2sccc2c1
InChIInChI=1S/C11H13NOS/c1-8(13)7-12-10-2-3-11-9(6-10)4-5-14-11/h2-6,8,12-13H,7H2,1H3/t8-/m1/s1
InChIKeyFFURJXXUSKMVCC-MRVPVSSYSA-N
XLogP2.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzothiophen-5-ylamino)-1-(4-chlorophenyl)ethanol
CID 65474893
methyl 3-(1-benzothiophen-5-ylamino)-2-bromopropanoate
CID 103252347
N-(4-methylpentyl)-1-benzothiophen-5-amine
CID 83156262
2-(1-benzothiophen-5-ylamino)-N-pentan-3-ylacetamide
CID 60751182
2-(1-benzothiophen-5-ylamino)-N-(3-methylbutyl)acetamide
CID 61062685
N-(3-methylbut-2-enyl)-1-benzothiophen-5-amine
CID 107900022
N-(1-benzothiophen-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114525182
2-(1-benzothiophen-5-ylamino)-N-propylacetamide
CID 60751180
N-(2,2,2-trifluoroethyl)-1-benzothiophen-5-amine
CID 65475860
2-(1-benzothiophen-5-ylamino)-N-cyclopropyl-N-ethylacetamide
CID 65475664
4-[(1-benzothiophen-5-ylamino)methyl]phenol
CID 43687694
2-(1-benzothiophen-5-ylamino)propanoic acid
CID 65475467

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-benzothiophen-5-ylamino)propan-2-ol?
The IUPAC name of (2R)-1-(1-benzothiophen-5-ylamino)propan-2-ol (CID 106932216) is (2R)-1-(1-benzothiophen-5-ylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(1-benzothiophen-5-ylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(1-benzothiophen-5-ylamino)propan-2-ol is C[C@@H](O)CNc1ccc2sccc2c1.
What is the InChIKey of (2R)-1-(1-benzothiophen-5-ylamino)propan-2-ol?
The InChIKey is FFURJXXUSKMVCC-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-8(13)7-12-10-2-3-11-9(6-10)4-5-14-11/h2-6,8,12-13H,7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-1-(1-benzothiophen-5-ylamino)propan-2-ol?
(2R)-1-(1-benzothiophen-5-ylamino)propan-2-ol has a molecular weight of 207.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-benzothiophen-5-ylamino)propan-2-ol is sourced from PubChem (CID 106932216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).