1-cyclohexyl-2-(9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-2,4,10-trien-7-yl)ethanol

C16H22N2OS — CID 163595149

IUPAC1-cyclohexyl-2-(9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-2,4,10-trien-7-yl)ethanol
SMILESOC(CC1C2SC=CC2c2cncn21)C1CCCCC1
InChIInChI=1S/C16H22N2OS/c19-15(11-4-2-1-3-5-11)8-13-16-12(6-7-20-16)14-9-17-10-18(13)14/h6-7,9-13,15-16,19H,1-5,8H2
InChIKeyGSUHMALINSSTFG-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.48
Rot. Bonds3

About 1-cyclohexyl-2-(9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-2,4,10-trien-7-yl)ethanol

1-cyclohexyl-2-(9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-2,4,10-trien-7-yl)ethanol (PubChem CID 163595149) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-cyclohexyl-2-(9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-2,4,10-trien-7-yl)ethanol.

Molecular Properties

Compound Name1-cyclohexyl-2-(9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-2,4,10-trien-7-yl)ethanol
PubChem CID163595149
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-cyclohexyl-2-(9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-2,4,10-trien-7-yl)ethanol
SMILESOC(CC1C2SC=CC2c2cncn21)C1CCCCC1
InChIInChI=1S/C16H22N2OS/c19-15(11-4-2-1-3-5-11)8-13-16-12(6-7-20-16)14-9-17-10-18(13)14/h6-7,9-13,15-16,19H,1-5,8H2
InChIKeyGSUHMALINSSTFG-UHFFFAOYSA-N
XLogP3.48
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyl-2-(9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-2,4,10-trien-7-yl)ethanol with MolForge

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Related Compounds

7-(cyclohexylmethyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-2,4,10-triene
CID 130360616
2-(11-chloro-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)-1-cyclohexylethanol
CID 121288664
1-cyclohexyl-2-[4-(1-fluoroethyl)-4,5,8,10-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,9-tetraen-7-yl]ethanol;fluoromethane
CID 145352011
(1R)-1-(1-cyclohexylpiperidin-4-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
CID 141349404
(7S)-7-(2-cyclohexylethyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraene;(7R)-7-(2-cyclohexylethyl)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraene;(1S)-1-cyclohexyl-2-[(7R)-3-thia-8,10-diazatricyclo[6.3.0.02,6]undeca-1(11),2(6),4,9-tetraen-7-yl]ethanol;(1S)-1-cyclohexyl-2-[(7S)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraen-7-yl]ethanol;(1R)-1-cyclohexyl-2-[(7S)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraen-7-yl]ethanol;(1S)-1-cyclohexyl-2-[(7R)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraen-7-yl]ethanol;(1R)-1-cyclohexyl-2-[(7R)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraen-7-yl]ethanol;2-[(7S)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraen-7-yl]ethanol;2-[(7R)-9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-1(8),2,4,10-tetraen-7-yl]ethanol
CID 162266425
cyclohexyl-[7-[(1R,2R)-2-fluorocyclopropyl]-7,8-dihydroimidazo[1,5-a]pyridin-8-yl]methanol
CID 145166894
1-cyclohexyl-2-pyridin-4-ylethanol
CID 62552593
(R)-cyclohexyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol
CID 129282494
1-cyclohexyl-2-(10-cyclopropyl-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol;bis(1-cyclohexyl-3-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)propan-2-ol);tris(2-(10-cyclopropyl-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)-1-(4,4-difluorocyclohexyl)ethanol)
CID 160827395
4-[2-(10-fluoro-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)-1-hydroxyethyl]cyclohexan-1-ol
CID 118931174
1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol;[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl] 2-phenylacetate
CID 157186673
N-cyclopentyl-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidine-1-carboxamide
CID 77141528

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-2,4,10-trien-7-yl)ethanol?
The IUPAC name of 1-cyclohexyl-2-(9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-2,4,10-trien-7-yl)ethanol (CID 163595149) is 1-cyclohexyl-2-(9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-2,4,10-trien-7-yl)ethanol.
What is the SMILES notation for 1-cyclohexyl-2-(9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-2,4,10-trien-7-yl)ethanol?
The canonical SMILES for 1-cyclohexyl-2-(9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-2,4,10-trien-7-yl)ethanol is OC(CC1C2SC=CC2c2cncn21)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-2,4,10-trien-7-yl)ethanol?
The InChIKey is GSUHMALINSSTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c19-15(11-4-2-1-3-5-11)8-13-16-12(6-7-20-16)14-9-17-10-18(13)14/h6-7,9-13,15-16,19H,1-5,8H2.
What are the key properties of 1-cyclohexyl-2-(9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-2,4,10-trien-7-yl)ethanol?
1-cyclohexyl-2-(9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-2,4,10-trien-7-yl)ethanol has a molecular weight of 290.43 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(9-thia-4,6-diazatricyclo[6.3.0.02,6]undeca-2,4,10-trien-7-yl)ethanol is sourced from PubChem (CID 163595149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).