N'-(2-methoxycyclohexyl)sulfonyl-3,3-dimethylbutanehydrazide

C13H26N2O4S — CID 167882280

IUPACN'-(2-methoxycyclohexyl)sulfonyl-3,3-dimethylbutanehydrazide
SMILESCOC1CCCCC1S(=O)(=O)NNC(=O)CC(C)(C)C
InChIInChI=1S/C13H26N2O4S/c1-13(2,3)9-12(16)14-15-20(17,18)11-8-6-5-7-10(11)19-4/h10-11,15H,5-9H2,1-4H3,(H,14,16)
InChIKeyPMZZKXDOFGXEMW-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.33
Rot. Bonds5

About N'-(2-methoxycyclohexyl)sulfonyl-3,3-dimethylbutanehydrazide

N'-(2-methoxycyclohexyl)sulfonyl-3,3-dimethylbutanehydrazide (PubChem CID 167882280) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is N'-(2-methoxycyclohexyl)sulfonyl-3,3-dimethylbutanehydrazide.

Molecular Properties

Compound NameN'-(2-methoxycyclohexyl)sulfonyl-3,3-dimethylbutanehydrazide
PubChem CID167882280
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC NameN'-(2-methoxycyclohexyl)sulfonyl-3,3-dimethylbutanehydrazide
SMILESCOC1CCCCC1S(=O)(=O)NNC(=O)CC(C)(C)C
InChIInChI=1S/C13H26N2O4S/c1-13(2,3)9-12(16)14-15-20(17,18)11-8-6-5-7-10(11)19-4/h10-11,15H,5-9H2,1-4H3,(H,14,16)
InChIKeyPMZZKXDOFGXEMW-UHFFFAOYSA-N
XLogP1.33
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxycyclohexyl)sulfonyl-3,3-dimethylbutanehydrazide?
The IUPAC name of N'-(2-methoxycyclohexyl)sulfonyl-3,3-dimethylbutanehydrazide (CID 167882280) is N'-(2-methoxycyclohexyl)sulfonyl-3,3-dimethylbutanehydrazide.
What is the SMILES notation for N'-(2-methoxycyclohexyl)sulfonyl-3,3-dimethylbutanehydrazide?
The canonical SMILES for N'-(2-methoxycyclohexyl)sulfonyl-3,3-dimethylbutanehydrazide is COC1CCCCC1S(=O)(=O)NNC(=O)CC(C)(C)C.
What is the InChIKey of N'-(2-methoxycyclohexyl)sulfonyl-3,3-dimethylbutanehydrazide?
The InChIKey is PMZZKXDOFGXEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-13(2,3)9-12(16)14-15-20(17,18)11-8-6-5-7-10(11)19-4/h10-11,15H,5-9H2,1-4H3,(H,14,16).
What are the key properties of N'-(2-methoxycyclohexyl)sulfonyl-3,3-dimethylbutanehydrazide?
N'-(2-methoxycyclohexyl)sulfonyl-3,3-dimethylbutanehydrazide has a molecular weight of 306.43 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxycyclohexyl)sulfonyl-3,3-dimethylbutanehydrazide is sourced from PubChem (CID 167882280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).