2-methyl-1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol

C14H23NOS — CID 63959133

IUPAC2-methyl-1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol
SMILESCSCC(C)Cn1c(C)cc2c1CCCC2O
InChIInChI=1S/C14H23NOS/c1-10(9-17-3)8-15-11(2)7-12-13(15)5-4-6-14(12)16/h7,10,14,16H,4-6,8-9H2,1-3H3
InChIKeyNPRMUBRLDYWPJT-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.17
Rot. Bonds4

About 2-methyl-1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol

2-methyl-1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol (PubChem CID 63959133) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol
PubChem CID63959133
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-methyl-1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol
SMILESCSCC(C)Cn1c(C)cc2c1CCCC2O
InChIInChI=1S/C14H23NOS/c1-10(9-17-3)8-15-11(2)7-12-13(15)5-4-6-14(12)16/h7,10,14,16H,4-6,8-9H2,1-3H3
InChIKeyNPRMUBRLDYWPJT-UHFFFAOYSA-N
XLogP3.17
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol?
The IUPAC name of 2-methyl-1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol (CID 63959133) is 2-methyl-1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol.
What is the SMILES notation for 2-methyl-1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol?
The canonical SMILES for 2-methyl-1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol is CSCC(C)Cn1c(C)cc2c1CCCC2O.
What is the InChIKey of 2-methyl-1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol?
The InChIKey is NPRMUBRLDYWPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-10(9-17-3)8-15-11(2)7-12-13(15)5-4-6-14(12)16/h7,10,14,16H,4-6,8-9H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol?
2-methyl-1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol has a molecular weight of 253.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-3-methylsulfanylpropyl)-4,5,6,7-tetrahydroindol-4-ol is sourced from PubChem (CID 63959133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).