N'-tert-butyl-2-methyl-N'-methylsulfonylpentanehydrazide

C11H24N2O3S — CID 158958763

IUPACN'-tert-butyl-2-methyl-N'-methylsulfonylpentanehydrazide
SMILESCCCC(C)C(=O)NN(C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C11H24N2O3S/c1-7-8-9(2)10(14)12-13(11(3,4)5)17(6,15)16/h9H,7-8H2,1-6H3,(H,12,14)
InChIKeyJMISBDOEUVBHIH-UHFFFAOYSA-N
MW264.39 g/mol
LogP1.51
Rot. Bonds5

About N'-tert-butyl-2-methyl-N'-methylsulfonylpentanehydrazide

N'-tert-butyl-2-methyl-N'-methylsulfonylpentanehydrazide (PubChem CID 158958763) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N'-tert-butyl-2-methyl-N'-methylsulfonylpentanehydrazide.

Molecular Properties

Compound NameN'-tert-butyl-2-methyl-N'-methylsulfonylpentanehydrazide
PubChem CID158958763
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN'-tert-butyl-2-methyl-N'-methylsulfonylpentanehydrazide
SMILESCCCC(C)C(=O)NN(C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C11H24N2O3S/c1-7-8-9(2)10(14)12-13(11(3,4)5)17(6,15)16/h9H,7-8H2,1-6H3,(H,12,14)
InChIKeyJMISBDOEUVBHIH-UHFFFAOYSA-N
XLogP1.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-tert-butyl-2-methylpentanehydrazide
CID 172682852
2-methylpentanehydrazide
CID 43183484
2-methyl-N-propan-2-ylpentanamide
CID 4628268
lithium 2-methylpentanoate
CID 122554466
2,2,3-trimethyl-3-(2-methylpentanoylamino)butanoic acid
CID 65261594
2-methyl-2-(2-methylpentanoylamino)pentanoic acid
CID 43619107
(2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid
CID 61151739
4-methyl-4-[methyl(methylsulfonyl)amino]-N-propan-2-yl-2-propylpentanamide
CID 118241891
N-(1-amino-3-methylpentan-3-yl)-2-methylpentanamide
CID 106164528
(2S)-2-[(2-methyl-2-methylsulfonylpropanoyl)amino]pentanoic acid
CID 107564506
2-methyl-N-[2-(methylamino)ethyl]pentanamide
CID 62659666
N-(4-hydroxybutan-2-yl)-2-methylpentanamide
CID 81042782

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-2-methyl-N'-methylsulfonylpentanehydrazide?
The IUPAC name of N'-tert-butyl-2-methyl-N'-methylsulfonylpentanehydrazide (CID 158958763) is N'-tert-butyl-2-methyl-N'-methylsulfonylpentanehydrazide.
What is the SMILES notation for N'-tert-butyl-2-methyl-N'-methylsulfonylpentanehydrazide?
The canonical SMILES for N'-tert-butyl-2-methyl-N'-methylsulfonylpentanehydrazide is CCCC(C)C(=O)NN(C(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N'-tert-butyl-2-methyl-N'-methylsulfonylpentanehydrazide?
The InChIKey is JMISBDOEUVBHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-7-8-9(2)10(14)12-13(11(3,4)5)17(6,15)16/h9H,7-8H2,1-6H3,(H,12,14).
What are the key properties of N'-tert-butyl-2-methyl-N'-methylsulfonylpentanehydrazide?
N'-tert-butyl-2-methyl-N'-methylsulfonylpentanehydrazide has a molecular weight of 264.39 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-2-methyl-N'-methylsulfonylpentanehydrazide is sourced from PubChem (CID 158958763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).