2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propan-2-yl-dihydroxy-propan-2-yl-λ4-sulfane

C14H26N2O3S — CID 58057165

IUPAC2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propan-2-yl-dihydroxy-propan-2-yl-λ4-sulfane
SMILESCC(C)S(O)(O)C(C)(C)c1nc(C2CCCCC2)no1
InChIInChI=1S/C14H26N2O3S/c1-10(2)20(17,18)14(3,4)13-15-12(16-19-13)11-8-6-5-7-9-11/h10-11,17-18H,5-9H2,1-4H3
InChIKeyGPKUBIPVLGSOBK-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.51
Rot. Bonds4

About 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propan-2-yl-dihydroxy-propan-2-yl-λ4-sulfane

2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propan-2-yl-dihydroxy-propan-2-yl-λ4-sulfane (PubChem CID 58057165) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propan-2-yl-dihydroxy-propan-2-yl-λ4-sulfane.

Molecular Properties

Compound Name2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propan-2-yl-dihydroxy-propan-2-yl-λ4-sulfane
PubChem CID58057165
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propan-2-yl-dihydroxy-propan-2-yl-λ4-sulfane
SMILESCC(C)S(O)(O)C(C)(C)c1nc(C2CCCCC2)no1
InChIInChI=1S/C14H26N2O3S/c1-10(2)20(17,18)14(3,4)13-15-12(16-19-13)11-8-6-5-7-9-11/h10-11,17-18H,5-9H2,1-4H3
InChIKeyGPKUBIPVLGSOBK-UHFFFAOYSA-N
XLogP4.51
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propan-2-yl-dihydroxy-propan-2-yl-λ4-sulfane with MolForge

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Related Compounds

3-cyclononyl-5-(1,1-difluoroethyl)-1,2,4-oxadiazole
CID 167237870
3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine
CID 80601737
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 80601727
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine
CID 65261284
2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2-ethylbutan-1-amine
CID 113308663
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)pentan-3-one
CID 80610154
2,3-dimethyl-3-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65425779
(1S,2R)-1-amino-1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 104965493
(1R)-1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104880933
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63345119
(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2,2-dimethylpropan-1-amine
CID 93357432
3-cyclopentyl-5-methyl-1,2,4-oxadiazole
CID 90327686

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propan-2-yl-dihydroxy-propan-2-yl-λ4-sulfane?
The IUPAC name of 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propan-2-yl-dihydroxy-propan-2-yl-λ4-sulfane (CID 58057165) is 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propan-2-yl-dihydroxy-propan-2-yl-λ4-sulfane.
What is the SMILES notation for 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propan-2-yl-dihydroxy-propan-2-yl-λ4-sulfane?
The canonical SMILES for 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propan-2-yl-dihydroxy-propan-2-yl-λ4-sulfane is CC(C)S(O)(O)C(C)(C)c1nc(C2CCCCC2)no1.
What is the InChIKey of 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propan-2-yl-dihydroxy-propan-2-yl-λ4-sulfane?
The InChIKey is GPKUBIPVLGSOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-10(2)20(17,18)14(3,4)13-15-12(16-19-13)11-8-6-5-7-9-11/h10-11,17-18H,5-9H2,1-4H3.
What are the key properties of 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propan-2-yl-dihydroxy-propan-2-yl-λ4-sulfane?
2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propan-2-yl-dihydroxy-propan-2-yl-λ4-sulfane has a molecular weight of 302.44 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propan-2-yl-dihydroxy-propan-2-yl-λ4-sulfane is sourced from PubChem (CID 58057165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).