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

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Related Compounds

Tandamine
CID 39187
2-[(1S)-9-ethyl-1-methyl-3,4-dihydrothiopyrano[3,4-b]indol-1-yl]-N,N-dimethylethanamine
CID 76957660
2-(1,3-Dimethyl-2-indolyl)ethanol
CID 12244031
1H-Indole-2-ethanol, 1-methyl-
CID 12234044
1,1,1,3,3,3-Hexafluoro-2-[(1-methylindol-2-yl)methyl]propan-2-ol
CID 294260
1-Tert-butylsulfanyl-3-carbazol-9-ylpropan-2-ol
CID 2867497
1,2-Dimethyl-3-(2-phenyl-1,3-dithiolan-2-yl)indole
CID 13637357
3-ethyl-4-[2-(1H-indol-2-yl)-1,3-dithian-2-yl]-1-methylpiperidin-3-ol
CID 14563411
4-(1-Ethyl-2-phenylindol-3-yl)-4-ethylsulfanylbut-3-en-2-one
CID 134840478
2-[2-Hydroxy-2-methyl-4,4-bis(methylsulfanyl)but-3-enyl]indole-1-carboxylic acid
CID 135051300
(E)-3-ethylsulfanyl-3-(1-methylindol-3-yl)-1-phenylprop-1-en-1-ol
CID 155936038
1-(4-Fluoro-1-methylindol-2-yl)-2-methylpropan-2-ol
CID 117120407

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).