4-(1-benzothiophen-3-yl)-4-(methylamino)butan-1-ol

C13H17NOS — CID 116953028

IUPAC4-(1-benzothiophen-3-yl)-4-(methylamino)butan-1-ol
SMILESCNC(CCCO)c1csc2ccccc12
InChIInChI=1S/C13H17NOS/c1-14-12(6-4-8-15)11-9-16-13-7-3-2-5-10(11)13/h2-3,5,7,9,12,14-15H,4,6,8H2,1H3
InChIKeySBSVQLZTPUATMR-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.93
Rot. Bonds5

About 4-(1-benzothiophen-3-yl)-4-(methylamino)butan-1-ol

4-(1-benzothiophen-3-yl)-4-(methylamino)butan-1-ol (PubChem CID 116953028) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-yl)-4-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-(1-benzothiophen-3-yl)-4-(methylamino)butan-1-ol
PubChem CID116953028
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name4-(1-benzothiophen-3-yl)-4-(methylamino)butan-1-ol
SMILESCNC(CCCO)c1csc2ccccc12
InChIInChI=1S/C13H17NOS/c1-14-12(6-4-8-15)11-9-16-13-7-3-2-5-10(11)13/h2-3,5,7,9,12,14-15H,4,6,8H2,1H3
InChIKeySBSVQLZTPUATMR-UHFFFAOYSA-N
XLogP2.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzothiophen-3-yl)-3-(methylamino)propan-1-ol
CID 116952885
1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine
CID 116948479
3-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]butan-1-ol
CID 83176448
5-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]pentan-1-ol
CID 107317019
1-(1-benzothiophen-3-yl)-N,3,4,4-tetramethylpentan-1-amine
CID 63833773
1-(1-benzothiophen-3-yl)-N-propylpentan-1-amine
CID 43497176
1-(1-benzothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019355
1-(1-benzothiophen-3-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 115800455
1-(1-benzothiophen-3-yl)-2-cyclobutyl-N-methylethanamine
CID 115863679
1-(1-benzothiophen-3-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830435
1-(1-benzothiophen-3-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049957
1-(1-benzothiophen-3-yl)-2-cyclohexyl-N-methylethanamine
CID 43485761

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-3-yl)-4-(methylamino)butan-1-ol?
The IUPAC name of 4-(1-benzothiophen-3-yl)-4-(methylamino)butan-1-ol (CID 116953028) is 4-(1-benzothiophen-3-yl)-4-(methylamino)butan-1-ol.
What is the SMILES notation for 4-(1-benzothiophen-3-yl)-4-(methylamino)butan-1-ol?
The canonical SMILES for 4-(1-benzothiophen-3-yl)-4-(methylamino)butan-1-ol is CNC(CCCO)c1csc2ccccc12.
What is the InChIKey of 4-(1-benzothiophen-3-yl)-4-(methylamino)butan-1-ol?
The InChIKey is SBSVQLZTPUATMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-14-12(6-4-8-15)11-9-16-13-7-3-2-5-10(11)13/h2-3,5,7,9,12,14-15H,4,6,8H2,1H3.
What are the key properties of 4-(1-benzothiophen-3-yl)-4-(methylamino)butan-1-ol?
4-(1-benzothiophen-3-yl)-4-(methylamino)butan-1-ol has a molecular weight of 235.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-3-yl)-4-(methylamino)butan-1-ol is sourced from PubChem (CID 116953028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).