trans-(1R,2R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-ol

C9H14N2O2S — CID 102732798

IUPACtrans-(1R,2R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-ol
SMILESCc1nnc(S[C@@H]2CCCC[C@H]2O)o1
InChIInChI=1S/C9H14N2O2S/c1-6-10-11-9(13-6)14-8-5-3-2-4-7(8)12/h7-8,12H,2-5H2,1H3/t7-,8-/m1/s1
InChIKeyNXGHICZXNCSRGW-HTQZYQBOSA-N
MW214.29 g/mol
LogP1.77
Rot. Bonds2

About trans-(1R,2R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-ol

trans-(1R,2R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-ol (PubChem CID 102732798) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-ol
PubChem CID102732798
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Nametrans-(1R,2R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-ol
SMILESCc1nnc(S[C@@H]2CCCC[C@H]2O)o1
InChIInChI=1S/C9H14N2O2S/c1-6-10-11-9(13-6)14-8-5-3-2-4-7(8)12/h7-8,12H,2-5H2,1H3/t7-,8-/m1/s1
InChIKeyNXGHICZXNCSRGW-HTQZYQBOSA-N
XLogP1.77
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-ol (CID 102732798) is trans-(1R,2R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-ol is Cc1nnc(S[C@@H]2CCCC[C@H]2O)o1.
What is the InChIKey of trans-(1R,2R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-ol?
The InChIKey is NXGHICZXNCSRGW-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-6-10-11-9(13-6)14-8-5-3-2-4-7(8)12/h7-8,12H,2-5H2,1H3/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-ol?
trans-(1R,2R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-ol has a molecular weight of 214.29 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-ol is sourced from PubChem (CID 102732798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).