(3R)-6-cyclohexyl-3-[3-[(ethylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide

C17H30N4O5S — CID 10272472

IUPAC(3R)-6-cyclohexyl-3-[3-[(ethylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide
SMILESCCS(=O)(=O)NCc1noc(C(CCCC2CCCCC2)CC(=O)NO)n1
InChIInChI=1S/C17H30N4O5S/c1-2-27(24,25)18-12-15-19-17(26-21-15)14(11-16(22)20-23)10-6-9-13-7-4-3-5-8-13/h13-14,18,23H,2-12H2,1H3,(H,20,22)
InChIKeyVSLRLVXTWKQRJN-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.24
Rot. Bonds11

About (3R)-6-cyclohexyl-3-[3-[(ethylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide

(3R)-6-cyclohexyl-3-[3-[(ethylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide (PubChem CID 10272472) has the molecular formula C17H30N4O5S and a molecular weight of 402.52 g/mol. Its IUPAC name is (3R)-6-cyclohexyl-3-[3-[(ethylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide.

Molecular Properties

Compound Name(3R)-6-cyclohexyl-3-[3-[(ethylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide
PubChem CID10272472
Molecular FormulaC17H30N4O5S
Molecular Weight402.52 g/mol
Exact Mass402.19
IUPAC Name(3R)-6-cyclohexyl-3-[3-[(ethylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide
SMILESCCS(=O)(=O)NCc1noc(C(CCCC2CCCCC2)CC(=O)NO)n1
InChIInChI=1S/C17H30N4O5S/c1-2-27(24,25)18-12-15-19-17(26-21-15)14(11-16(22)20-23)10-6-9-13-7-4-3-5-8-13/h13-14,18,23H,2-12H2,1H3,(H,20,22)
InChIKeyVSLRLVXTWKQRJN-UHFFFAOYSA-N
XLogP2.24
TPSA134.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3R)-6-cyclohexyl-3-[3-[(ethylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-6-cyclohexyl-3-[3-[(ethylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide?
The IUPAC name of (3R)-6-cyclohexyl-3-[3-[(ethylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide (CID 10272472) is (3R)-6-cyclohexyl-3-[3-[(ethylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide.
What is the SMILES notation for (3R)-6-cyclohexyl-3-[3-[(ethylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide?
The canonical SMILES for (3R)-6-cyclohexyl-3-[3-[(ethylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide is CCS(=O)(=O)NCc1noc(C(CCCC2CCCCC2)CC(=O)NO)n1.
What is the InChIKey of (3R)-6-cyclohexyl-3-[3-[(ethylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide?
The InChIKey is VSLRLVXTWKQRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O5S/c1-2-27(24,25)18-12-15-19-17(26-21-15)14(11-16(22)20-23)10-6-9-13-7-4-3-5-8-13/h13-14,18,23H,2-12H2,1H3,(H,20,22).
What are the key properties of (3R)-6-cyclohexyl-3-[3-[(ethylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide?
(3R)-6-cyclohexyl-3-[3-[(ethylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide has a molecular weight of 402.52 g/mol, XLogP of 2.24, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-cyclohexyl-3-[3-[(ethylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide is sourced from PubChem (CID 10272472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).