(3R)-6-cyclohexyl-N-hydroxy-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanamide

C16H28N4O5S — CID 10271604

IUPAC(3R)-6-cyclohexyl-N-hydroxy-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanamide
SMILESCS(=O)(=O)NCc1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1
InChIInChI=1S/C16H28N4O5S/c1-26(23,24)17-11-14-18-16(25-20-14)13(10-15(21)19-22)9-5-8-12-6-3-2-4-7-12/h12-13,17,22H,2-11H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyNEGPFWDWNNSJRQ-CYBMUJFWSA-N
MW388.49 g/mol
LogP1.85
Rot. Bonds10

About (3R)-6-cyclohexyl-N-hydroxy-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanamide

(3R)-6-cyclohexyl-N-hydroxy-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanamide (PubChem CID 10271604) has the molecular formula C16H28N4O5S and a molecular weight of 388.49 g/mol. Its IUPAC name is (3R)-6-cyclohexyl-N-hydroxy-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanamide.

Molecular Properties

Compound Name(3R)-6-cyclohexyl-N-hydroxy-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanamide
PubChem CID10271604
Molecular FormulaC16H28N4O5S
Molecular Weight388.49 g/mol
Exact Mass388.18
IUPAC Name(3R)-6-cyclohexyl-N-hydroxy-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanamide
SMILESCS(=O)(=O)NCc1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1
InChIInChI=1S/C16H28N4O5S/c1-26(23,24)17-11-14-18-16(25-20-14)13(10-15(21)19-22)9-5-8-12-6-3-2-4-7-12/h12-13,17,22H,2-11H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyNEGPFWDWNNSJRQ-CYBMUJFWSA-N
XLogP1.85
TPSA134.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.85
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'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-cyclohexyl-N-hydroxy-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanamide?
The IUPAC name of (3R)-6-cyclohexyl-N-hydroxy-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanamide (CID 10271604) is (3R)-6-cyclohexyl-N-hydroxy-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanamide.
What is the SMILES notation for (3R)-6-cyclohexyl-N-hydroxy-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanamide?
The canonical SMILES for (3R)-6-cyclohexyl-N-hydroxy-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanamide is CS(=O)(=O)NCc1noc([C@H](CCCC2CCCCC2)CC(=O)NO)n1.
What is the InChIKey of (3R)-6-cyclohexyl-N-hydroxy-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanamide?
The InChIKey is NEGPFWDWNNSJRQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H28N4O5S/c1-26(23,24)17-11-14-18-16(25-20-14)13(10-15(21)19-22)9-5-8-12-6-3-2-4-7-12/h12-13,17,22H,2-11H2,1H3,(H,19,21)/t13-/m1/s1.
What are the key properties of (3R)-6-cyclohexyl-N-hydroxy-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanamide?
(3R)-6-cyclohexyl-N-hydroxy-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanamide has a molecular weight of 388.49 g/mol, XLogP of 1.85, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-cyclohexyl-N-hydroxy-3-[3-(methanesulfonamidomethyl)-1,2,4-oxadiazol-5-yl]hexanamide is sourced from PubChem (CID 10271604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).