3-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-ol

C12H15NOS — CID 60733920

IUPAC3-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-ol
SMILESCC(CN)C(O)c1csc2ccccc12
InChIInChI=1S/C12H15NOS/c1-8(6-13)12(14)10-7-15-11-5-3-2-4-9(10)11/h2-5,7-8,12,14H,6,13H2,1H3
InChIKeyQURFTVBJAYVBMU-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.53
Rot. Bonds3

About 3-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-ol

3-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-ol (PubChem CID 60733920) has the molecular formula C12H15NOS and a molecular weight of 221.33 g/mol. Its IUPAC name is 3-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-ol
PubChem CID60733920
Molecular FormulaC12H15NOS
Molecular Weight221.33 g/mol
Exact Mass221.09
IUPAC Name3-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-ol
SMILESCC(CN)C(O)c1csc2ccccc12
InChIInChI=1S/C12H15NOS/c1-8(6-13)12(14)10-7-15-11-5-3-2-4-9(10)11/h2-5,7-8,12,14H,6,13H2,1H3
InChIKeyQURFTVBJAYVBMU-UHFFFAOYSA-N
XLogP2.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
2-amino-1-(1-benzothiophen-3-yl)ethanethiol
CID 116868698
(R)-1-benzothiophen-3-yl(phenyl)methanol
CID 101489601
1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine
CID 43150910
1-(1-benzothiophen-3-yl)-N,N-dimethylethanamine
CID 116914688
4-(1-benzothiophen-3-yl)-3,4-dihydroxybutanamide
CID 171899320
1-(1-benzothiophen-3-yl)-2-(2-methylpropylamino)ethanol
CID 62773751
3-amino-1-(1-benzothiophen-3-yl)-2-(3-bromophenyl)propan-1-ol
CID 65188133
3-amino-1-(1-benzothiophen-3-yl)-2-(3-chlorophenyl)propan-1-ol
CID 65186614
1-(1-benzothiophen-3-yl)-N,N,2-trimethylbutane-1,4-diamine
CID 116905416
(2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol
CID 94550401
3-[1-benzothiophen-3-yl(chloro)methyl]-1-benzothiophene
CID 63433274

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-ol?
The IUPAC name of 3-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-ol (CID 60733920) is 3-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-ol?
The canonical SMILES for 3-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-ol is CC(CN)C(O)c1csc2ccccc12.
What is the InChIKey of 3-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-ol?
The InChIKey is QURFTVBJAYVBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-8(6-13)12(14)10-7-15-11-5-3-2-4-9(10)11/h2-5,7-8,12,14H,6,13H2,1H3.
What are the key properties of 3-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-ol?
3-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-ol has a molecular weight of 221.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 60733920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).