2-(1-benzothiophen-3-ylamino)-3-methylbutan-1-ol

C13H17NOS — CID 115137355

IUPAC2-(1-benzothiophen-3-ylamino)-3-methylbutan-1-ol
SMILESCC(C)C(CO)Nc1csc2ccccc12
InChIInChI=1S/C13H17NOS/c1-9(2)11(7-15)14-12-8-16-13-6-4-3-5-10(12)13/h3-6,8-9,11,14-15H,7H2,1-2H3
InChIKeyZIZXDXBFSWWJCK-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.33
Rot. Bonds4

About 2-(1-benzothiophen-3-ylamino)-3-methylbutan-1-ol

2-(1-benzothiophen-3-ylamino)-3-methylbutan-1-ol (PubChem CID 115137355) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-ylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(1-benzothiophen-3-ylamino)-3-methylbutan-1-ol
PubChem CID115137355
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name2-(1-benzothiophen-3-ylamino)-3-methylbutan-1-ol
SMILESCC(C)C(CO)Nc1csc2ccccc12
InChIInChI=1S/C13H17NOS/c1-9(2)11(7-15)14-12-8-16-13-6-4-3-5-10(12)13/h3-6,8-9,11,14-15H,7H2,1-2H3
InChIKeyZIZXDXBFSWWJCK-UHFFFAOYSA-N
XLogP3.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(1-benzothiophen-3-ylamino)propanoic acid;(2R)-2-(naphthalen-1-ylamino)propanoic acid
CID 71272007
3-(1-benzothiophen-3-ylamino)propane-1,2-diol
CID 115121939
2-(2-fluoroanilino)-3-methylbutan-1-ol
CID 61317704
N-(bromomethyl)-1-benzothiophen-3-amine
CID 115261633
3-(propan-2-ylamino)thiochromen-4-one
CID 53016923
2-(1-benzothiophen-3-ylamino)-3-phenylpropanoic acid
CID 174596084
2-[1-benzothiophen-3-yl(methyl)amino]-3-methylbutan-1-ol
CID 115137486
1-(1-benzothiophen-3-yl)-N-ethyl-4-methylpentan-3-amine
CID 63738446
(2S)-2-amino-3-(1H-indol-3-yl)-2-methylpropanoic acid;(2R)-2-(1-benzothiophen-3-ylamino)propanoic acid
CID 118903731
3-(1-benzothiophen-3-ylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 115163961
3-(propan-2-yloxymethyl)-1-benzothiophene
CID 117170953
(2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol
CID 94550401

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-ylamino)-3-methylbutan-1-ol?
The IUPAC name of 2-(1-benzothiophen-3-ylamino)-3-methylbutan-1-ol (CID 115137355) is 2-(1-benzothiophen-3-ylamino)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(1-benzothiophen-3-ylamino)-3-methylbutan-1-ol?
The canonical SMILES for 2-(1-benzothiophen-3-ylamino)-3-methylbutan-1-ol is CC(C)C(CO)Nc1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-ylamino)-3-methylbutan-1-ol?
The InChIKey is ZIZXDXBFSWWJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-9(2)11(7-15)14-12-8-16-13-6-4-3-5-10(12)13/h3-6,8-9,11,14-15H,7H2,1-2H3.
What are the key properties of 2-(1-benzothiophen-3-ylamino)-3-methylbutan-1-ol?
2-(1-benzothiophen-3-ylamino)-3-methylbutan-1-ol has a molecular weight of 235.35 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-ylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 115137355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).