(1R)-3-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-ol

C11H17NOS — CID 96777587

IUPAC(1R)-3-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-ol
SMILESNCC[C@@H](O)c1cc2c(s1)CCCC2
InChIInChI=1S/C11H17NOS/c12-6-5-9(13)11-7-8-3-1-2-4-10(8)14-11/h7,9,13H,1-6,12H2/t9-/m1/s1
InChIKeyYFMZOGKTNFCWEB-SECBINFHSA-N
MW211.33 g/mol
LogP2.01
Rot. Bonds3

About (1R)-3-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-ol

(1R)-3-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-ol (PubChem CID 96777587) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is (1R)-3-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name(1R)-3-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-ol
PubChem CID96777587
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name(1R)-3-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-ol
SMILESNCC[C@@H](O)c1cc2c(s1)CCCC2
InChIInChI=1S/C11H17NOS/c12-6-5-9(13)11-7-8-3-1-2-4-10(8)14-11/h7,9,13H,1-6,12H2/t9-/m1/s1
InChIKeyYFMZOGKTNFCWEB-SECBINFHSA-N
XLogP2.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol
CID 115810675
4-ethylsulfonyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-ol
CID 115803769
2-(3,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
CID 114980354
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 115803165
3-(oxolan-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propan-1-ol
CID 115809348
2-(aminomethyl)-3-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butan-1-ol
CID 65185849
2-(4-bromophenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanol
CID 63518430
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-fluorophenyl)ethanol
CID 55150651
2-(3-bromo-4-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
CID 115779669
2-(4-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
CID 115788325
cyclohexyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 115802136
cyclopentyl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 115840619

Frequently Asked Questions

What is the IUPAC name of (1R)-3-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-ol?
The IUPAC name of (1R)-3-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-ol (CID 96777587) is (1R)-3-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-ol.
What is the SMILES notation for (1R)-3-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-ol?
The canonical SMILES for (1R)-3-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-ol is NCC[C@@H](O)c1cc2c(s1)CCCC2.
What is the InChIKey of (1R)-3-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-ol?
The InChIKey is YFMZOGKTNFCWEB-SECBINFHSA-N. The full InChI is InChI=1S/C11H17NOS/c12-6-5-9(13)11-7-8-3-1-2-4-10(8)14-11/h7,9,13H,1-6,12H2/t9-/m1/s1.
What are the key properties of (1R)-3-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-ol?
(1R)-3-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-ol has a molecular weight of 211.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-ol is sourced from PubChem (CID 96777587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).