1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroindol-4-ol

C13H21NO2S — CID 113493711

IUPAC1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroindol-4-ol
SMILESCC(CCS(C)=O)n1ccc2c1CCCC2O
InChIInChI=1S/C13H21NO2S/c1-10(7-9-17(2)16)14-8-6-11-12(14)4-3-5-13(11)15/h6,8,10,13,15H,3-5,7,9H2,1-2H3
InChIKeyZQCFRVIKRHCSOO-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.19
Rot. Bonds4

About 1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroindol-4-ol

1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroindol-4-ol (PubChem CID 113493711) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroindol-4-ol.

Molecular Properties

Compound Name1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroindol-4-ol
PubChem CID113493711
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroindol-4-ol
SMILESCC(CCS(C)=O)n1ccc2c1CCCC2O
InChIInChI=1S/C13H21NO2S/c1-10(7-9-17(2)16)14-8-6-11-12(14)4-3-5-13(11)15/h6,8,10,13,15H,3-5,7,9H2,1-2H3
InChIKeyZQCFRVIKRHCSOO-UHFFFAOYSA-N
XLogP2.19
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroindol-4-ol with MolForge

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Related Compounds

1-(5-methylhexan-2-yl)-4,5,6,7-tetrahydroindol-4-amine
CID 63925154
1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol
CID 63959351
1-(2,6-dimethylpiperidin-1-yl)-4,5,6,7-tetrahydroindol-4-ol
CID 83023764
N-cyclohexyl-1-(4-methylsulfinylbutan-2-yl)imidazol-2-amine
CID 106582432
1-(3-methylpentan-3-yl)-4,5,6,7-tetrahydroindol-4-ol
CID 106330724
1-[(2-ethylphenyl)methyl]-4,5,6,7-tetrahydroindol-4-ol
CID 64693312
5-(4-hydroxy-4,5,6,7-tetrahydroindol-1-yl)-1-methylpiperidin-2-one
CID 64670016
1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol
CID 114185094
1-(5-methyl-3-pyridinyl)-4,5,6,7-tetrahydroindol-4-ol
CID 107586549
1-hexan-2-yl-2-methyl-4,5,6,7-tetrahydroindol-4-ol
CID 62198989
1-(thiolan-2-ylmethyl)-4,5,6,7-tetrahydroindol-4-ol
CID 80586158
N-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 115893107

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroindol-4-ol?
The IUPAC name of 1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroindol-4-ol (CID 113493711) is 1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroindol-4-ol.
What is the SMILES notation for 1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroindol-4-ol?
The canonical SMILES for 1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroindol-4-ol is CC(CCS(C)=O)n1ccc2c1CCCC2O.
What is the InChIKey of 1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroindol-4-ol?
The InChIKey is ZQCFRVIKRHCSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-10(7-9-17(2)16)14-8-6-11-12(14)4-3-5-13(11)15/h6,8,10,13,15H,3-5,7,9H2,1-2H3.
What are the key properties of 1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroindol-4-ol?
1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroindol-4-ol has a molecular weight of 255.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfinylbutan-2-yl)-4,5,6,7-tetrahydroindol-4-ol is sourced from PubChem (CID 113493711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).