[3-(oxan-4-ylsulfanyl)-1-(propan-2-ylamino)cyclohexyl]methanol

C15H29NO2S — CID 79640132

IUPAC[3-(oxan-4-ylsulfanyl)-1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCC(C)NC1(CO)CCCC(SC2CCOCC2)C1
InChIInChI=1S/C15H29NO2S/c1-12(2)16-15(11-17)7-3-4-14(10-15)19-13-5-8-18-9-6-13/h12-14,16-17H,3-11H2,1-2H3
InChIKeyKYLOXAMVFKLYTN-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.57
Rot. Bonds5

About [3-(oxan-4-ylsulfanyl)-1-(propan-2-ylamino)cyclohexyl]methanol

[3-(oxan-4-ylsulfanyl)-1-(propan-2-ylamino)cyclohexyl]methanol (PubChem CID 79640132) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is [3-(oxan-4-ylsulfanyl)-1-(propan-2-ylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-(oxan-4-ylsulfanyl)-1-(propan-2-ylamino)cyclohexyl]methanol
PubChem CID79640132
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC Name[3-(oxan-4-ylsulfanyl)-1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCC(C)NC1(CO)CCCC(SC2CCOCC2)C1
InChIInChI=1S/C15H29NO2S/c1-12(2)16-15(11-17)7-3-4-14(10-15)19-13-5-8-18-9-6-13/h12-14,16-17H,3-11H2,1-2H3
InChIKeyKYLOXAMVFKLYTN-UHFFFAOYSA-N
XLogP2.57
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-(oxan-4-ylsulfanyl)-1-(propan-2-ylamino)cyclohexyl]methanol with MolForge

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Related Compounds

[3-butan-2-ylsulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79646598
[3-cyclopentylsulfanyl-1-(methylamino)cyclopentyl]methanol
CID 79646566
[1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclohexyl]methanol
CID 79640772
[3-[methyl(oxan-4-ylmethyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656830
[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79638793
[3-methoxy-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640901
[3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635385
[3-(2-methylbutan-2-yloxy)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640739
[1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclohexyl]methanol
CID 107764753
[3-(2-methylmorpholin-4-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635044
[3-(3,3-dimethylbutoxy)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640126
[3-[2-(dimethylamino)ethyl-methylamino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635513

Frequently Asked Questions

What is the IUPAC name of [3-(oxan-4-ylsulfanyl)-1-(propan-2-ylamino)cyclohexyl]methanol?
The IUPAC name of [3-(oxan-4-ylsulfanyl)-1-(propan-2-ylamino)cyclohexyl]methanol (CID 79640132) is [3-(oxan-4-ylsulfanyl)-1-(propan-2-ylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-(oxan-4-ylsulfanyl)-1-(propan-2-ylamino)cyclohexyl]methanol?
The canonical SMILES for [3-(oxan-4-ylsulfanyl)-1-(propan-2-ylamino)cyclohexyl]methanol is CC(C)NC1(CO)CCCC(SC2CCOCC2)C1.
What is the InChIKey of [3-(oxan-4-ylsulfanyl)-1-(propan-2-ylamino)cyclohexyl]methanol?
The InChIKey is KYLOXAMVFKLYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-12(2)16-15(11-17)7-3-4-14(10-15)19-13-5-8-18-9-6-13/h12-14,16-17H,3-11H2,1-2H3.
What are the key properties of [3-(oxan-4-ylsulfanyl)-1-(propan-2-ylamino)cyclohexyl]methanol?
[3-(oxan-4-ylsulfanyl)-1-(propan-2-ylamino)cyclohexyl]methanol has a molecular weight of 287.47 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxan-4-ylsulfanyl)-1-(propan-2-ylamino)cyclohexyl]methanol is sourced from PubChem (CID 79640132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).