1-[2-(1-methylindol-2-yl)-1,3-dithian-2-yl]cyclohexan-1-ol

C19H25NOS2 — CID 14567329

IUPAC1-[2-(1-methylindol-2-yl)-1,3-dithian-2-yl]cyclohexan-1-ol
SMILESCn1c(C2(C3(O)CCCCC3)SCCCS2)cc2ccccc21
InChIInChI=1S/C19H25NOS2/c1-20-16-9-4-3-8-15(16)14-17(20)19(22-12-7-13-23-19)18(21)10-5-2-6-11-18/h3-4,8-9,14,21H,2,5-7,10-13H2,1H3
InChIKeyNTYRNOVGYALAAQ-UHFFFAOYSA-N
MW347.55 g/mol
LogP4.90
Rot. Bonds2

About 1-[2-(1-methylindol-2-yl)-1,3-dithian-2-yl]cyclohexan-1-ol

1-[2-(1-methylindol-2-yl)-1,3-dithian-2-yl]cyclohexan-1-ol (PubChem CID 14567329) has the molecular formula C19H25NOS2 and a molecular weight of 347.55 g/mol. Its IUPAC name is 1-[2-(1-methylindol-2-yl)-1,3-dithian-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(1-methylindol-2-yl)-1,3-dithian-2-yl]cyclohexan-1-ol
PubChem CID14567329
Molecular FormulaC19H25NOS2
Molecular Weight347.55 g/mol
Exact Mass347.14
IUPAC Name1-[2-(1-methylindol-2-yl)-1,3-dithian-2-yl]cyclohexan-1-ol
SMILESCn1c(C2(C3(O)CCCCC3)SCCCS2)cc2ccccc21
InChIInChI=1S/C19H25NOS2/c1-20-16-9-4-3-8-15(16)14-17(20)19(22-12-7-13-23-19)18(21)10-5-2-6-11-18/h3-4,8-9,14,21H,2,5-7,10-13H2,1H3
InChIKeyNTYRNOVGYALAAQ-UHFFFAOYSA-N
XLogP4.90
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.55
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(1-methylindol-2-yl)-1,3-dithian-2-yl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylindol-2-yl)-1,3-dithian-2-yl]cyclohexan-1-ol?
The IUPAC name of 1-[2-(1-methylindol-2-yl)-1,3-dithian-2-yl]cyclohexan-1-ol (CID 14567329) is 1-[2-(1-methylindol-2-yl)-1,3-dithian-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-(1-methylindol-2-yl)-1,3-dithian-2-yl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-(1-methylindol-2-yl)-1,3-dithian-2-yl]cyclohexan-1-ol is Cn1c(C2(C3(O)CCCCC3)SCCCS2)cc2ccccc21.
What is the InChIKey of 1-[2-(1-methylindol-2-yl)-1,3-dithian-2-yl]cyclohexan-1-ol?
The InChIKey is NTYRNOVGYALAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NOS2/c1-20-16-9-4-3-8-15(16)14-17(20)19(22-12-7-13-23-19)18(21)10-5-2-6-11-18/h3-4,8-9,14,21H,2,5-7,10-13H2,1H3.
What are the key properties of 1-[2-(1-methylindol-2-yl)-1,3-dithian-2-yl]cyclohexan-1-ol?
1-[2-(1-methylindol-2-yl)-1,3-dithian-2-yl]cyclohexan-1-ol has a molecular weight of 347.55 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylindol-2-yl)-1,3-dithian-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 14567329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).