(3R)-6-cyclohexyl-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid

C16H27N3O5S — CID 11187948

IUPAC(3R)-6-cyclohexyl-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid
SMILESCS(=O)(=O)NCc1noc([C@H](CCCC2CCCCC2)CC(=O)O)n1
InChIInChI=1S/C16H27N3O5S/c1-25(22,23)17-11-14-18-16(24-19-14)13(10-15(20)21)9-5-8-12-6-3-2-4-7-12/h12-13,17H,2-11H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyIJVVXPMTXJVUPN-CYBMUJFWSA-N
MW373.48 g/mol
LogP2.43
Rot. Bonds10

About (3R)-6-cyclohexyl-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid

(3R)-6-cyclohexyl-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid (PubChem CID 11187948) has the molecular formula C16H27N3O5S and a molecular weight of 373.48 g/mol. Its IUPAC name is (3R)-6-cyclohexyl-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid.

Molecular Properties

Compound Name(3R)-6-cyclohexyl-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid
PubChem CID11187948
Molecular FormulaC16H27N3O5S
Molecular Weight373.48 g/mol
Exact Mass373.17
IUPAC Name(3R)-6-cyclohexyl-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid
SMILESCS(=O)(=O)NCc1noc([C@H](CCCC2CCCCC2)CC(=O)O)n1
InChIInChI=1S/C16H27N3O5S/c1-25(22,23)17-11-14-18-16(24-19-14)13(10-15(20)21)9-5-8-12-6-3-2-4-7-12/h12-13,17H,2-11H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyIJVVXPMTXJVUPN-CYBMUJFWSA-N
XLogP2.43
TPSA122.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-cyclohexyl-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid?
The IUPAC name of (3R)-6-cyclohexyl-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid (CID 11187948) is (3R)-6-cyclohexyl-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid.
What is the SMILES notation for (3R)-6-cyclohexyl-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid?
The canonical SMILES for (3R)-6-cyclohexyl-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid is CS(=O)(=O)NCc1noc([C@H](CCCC2CCCCC2)CC(=O)O)n1.
What is the InChIKey of (3R)-6-cyclohexyl-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid?
The InChIKey is IJVVXPMTXJVUPN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H27N3O5S/c1-25(22,23)17-11-14-18-16(24-19-14)13(10-15(20)21)9-5-8-12-6-3-2-4-7-12/h12-13,17H,2-11H2,1H3,(H,20,21)/t13-/m1/s1.
What are the key properties of (3R)-6-cyclohexyl-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid?
(3R)-6-cyclohexyl-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid has a molecular weight of 373.48 g/mol, XLogP of 2.43, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-cyclohexyl-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid is sourced from PubChem (CID 11187948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).