4-amino-1-(1-benzothiophen-6-yl)butane-1,2-diol

C12H15NO2S — CID 171881402

IUPAC4-amino-1-(1-benzothiophen-6-yl)butane-1,2-diol
SMILESNCCC(O)C(O)c1ccc2ccsc2c1
InChIInChI=1S/C12H15NO2S/c13-5-3-10(14)12(15)9-2-1-8-4-6-16-11(8)7-9/h1-2,4,6-7,10,12,14-15H,3,5,13H2
InChIKeyHILSZFLIHJOJES-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.64
Rot. Bonds4

About 4-amino-1-(1-benzothiophen-6-yl)butane-1,2-diol

4-amino-1-(1-benzothiophen-6-yl)butane-1,2-diol (PubChem CID 171881402) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-amino-1-(1-benzothiophen-6-yl)butane-1,2-diol.

Molecular Properties

Compound Name4-amino-1-(1-benzothiophen-6-yl)butane-1,2-diol
PubChem CID171881402
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name4-amino-1-(1-benzothiophen-6-yl)butane-1,2-diol
SMILESNCCC(O)C(O)c1ccc2ccsc2c1
InChIInChI=1S/C12H15NO2S/c13-5-3-10(14)12(15)9-2-1-8-4-6-16-11(8)7-9/h1-2,4,6-7,10,12,14-15H,3,5,13H2
InChIKeyHILSZFLIHJOJES-UHFFFAOYSA-N
XLogP1.64
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzothiophen-6-yl)-4-bromobutane-1,2-diol
CID 171892154
1-(1-benzothiophen-6-yl)propane-1,2,3-triol
CID 170817998
1-(1-benzothiophen-5-yl)-3-sulfanylpropane-1,2-diol
CID 170820018
4-amino-1-(4-amino-3-hydroxyphenyl)butane-1,2-diol
CID 171881025
4-amino-1-(1H-indazol-6-yl)butane-1,2-diol
CID 171881419
N-[4-(1-benzothiophen-5-yl)-3,4-dihydroxybutyl]acetamide
CID 171883191
4-amino-1-(4-bromophenyl)butane-1,2-diol
CID 171882308
4-amino-1-(3-bromo-4-chlorophenyl)butane-1,2-diol
CID 171882344
6-(4-amino-1,2-dihydroxybutyl)-2,3-dihydroinden-1-one
CID 171881450
2-amino-5-(4-amino-1,2-dihydroxybutyl)benzoic acid
CID 171881708
4-amino-1-(2-methyl-1,3-benzoxazol-5-yl)butane-1,2-diol
CID 171881491
5-(4-amino-1,2-dihydroxybutyl)-2-chlorobenzoic acid
CID 171881516

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1-benzothiophen-6-yl)butane-1,2-diol?
The IUPAC name of 4-amino-1-(1-benzothiophen-6-yl)butane-1,2-diol (CID 171881402) is 4-amino-1-(1-benzothiophen-6-yl)butane-1,2-diol.
What is the SMILES notation for 4-amino-1-(1-benzothiophen-6-yl)butane-1,2-diol?
The canonical SMILES for 4-amino-1-(1-benzothiophen-6-yl)butane-1,2-diol is NCCC(O)C(O)c1ccc2ccsc2c1.
What is the InChIKey of 4-amino-1-(1-benzothiophen-6-yl)butane-1,2-diol?
The InChIKey is HILSZFLIHJOJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c13-5-3-10(14)12(15)9-2-1-8-4-6-16-11(8)7-9/h1-2,4,6-7,10,12,14-15H,3,5,13H2.
What are the key properties of 4-amino-1-(1-benzothiophen-6-yl)butane-1,2-diol?
4-amino-1-(1-benzothiophen-6-yl)butane-1,2-diol has a molecular weight of 237.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1-benzothiophen-6-yl)butane-1,2-diol is sourced from PubChem (CID 171881402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).