hydrogen peroxide;sulfanol;2,2,4-trimethyl-N-(2,3,3,4-tetramethylpentan-2-yl)pentanamide

C17H39NO4S — CID 178050151

IUPAChydrogen peroxide;sulfanol;2,2,4-trimethyl-N-(2,3,3,4-tetramethylpentan-2-yl)pentanamide
SMILESCC(C)CC(C)(C)C(=O)NC(C)(C)C(C)(C)C(C)C.OO.OS
InChIInChI=1S/C17H35NO.H2O2.H2OS/c1-12(2)11-15(5,6)14(19)18-17(9,10)16(7,8)13(3)4;2*1-2/h12-13H,11H2,1-10H3,(H,18,19);2*1-2H
InChIKeyYRMYKPQFVDGPDV-UHFFFAOYSA-N
MW353.57 g/mol
LogP5.04
Rot. Bonds6

About hydrogen peroxide;sulfanol;2,2,4-trimethyl-N-(2,3,3,4-tetramethylpentan-2-yl)pentanamide

hydrogen peroxide;sulfanol;2,2,4-trimethyl-N-(2,3,3,4-tetramethylpentan-2-yl)pentanamide (PubChem CID 178050151) has the molecular formula C17H39NO4S and a molecular weight of 353.57 g/mol. Its IUPAC name is hydrogen peroxide;sulfanol;2,2,4-trimethyl-N-(2,3,3,4-tetramethylpentan-2-yl)pentanamide.

Molecular Properties

Compound Namehydrogen peroxide;sulfanol;2,2,4-trimethyl-N-(2,3,3,4-tetramethylpentan-2-yl)pentanamide
PubChem CID178050151
Molecular FormulaC17H39NO4S
Molecular Weight353.57 g/mol
Exact Mass353.26
IUPAC Namehydrogen peroxide;sulfanol;2,2,4-trimethyl-N-(2,3,3,4-tetramethylpentan-2-yl)pentanamide
SMILESCC(C)CC(C)(C)C(=O)NC(C)(C)C(C)(C)C(C)C.OO.OS
InChIInChI=1S/C17H35NO.H2O2.H2OS/c1-12(2)11-15(5,6)14(19)18-17(9,10)16(7,8)13(3)4;2*1-2/h12-13H,11H2,1-10H3,(H,18,19);2*1-2H
InChIKeyYRMYKPQFVDGPDV-UHFFFAOYSA-N
XLogP5.04
TPSA89.79 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.57
LogP ≤ 55.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-(2,3,3,4-tetramethylpentan-2-yl)propanamide
CID 166894562
2,2,4-trimethyl-N-propan-2-ylpentanamide
CID 126707660
ethane;N,2,2,4-tetramethylpentanamide
CID 143818563
N',2,2,4-tetramethylpentanehydrazide
CID 116847123
3,3,5-trimethylhexan-2-one
CID 2776079
4-methyl-2-[(2,2,4-trimethylpentanoylamino)methyl]pentanoic acid
CID 120688025
2,2,4-trimethyl-N-prop-2-enylpentanamide
CID 166713850
acetic acid;2,2,4-trimethylpentane;hydrate
CID 159555520
tert-butyl 2,2,4-trimethylpentanoate
CID 91303202
(3S)-3-amino-4-oxo-4-[[(1R)-1-(2,2,4-trimethylpentanoylamino)ethyl]amino]butanoic acid
CID 18601643
2,2,4-trimethyl-N-[3-(methylamino)propyl]pentanamide;hydrochloride
CID 119431228
cis-(1R,3S)-3-(2,2,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid
CID 120690552

Frequently Asked Questions

What is the IUPAC name of hydrogen peroxide;sulfanol;2,2,4-trimethyl-N-(2,3,3,4-tetramethylpentan-2-yl)pentanamide?
The IUPAC name of hydrogen peroxide;sulfanol;2,2,4-trimethyl-N-(2,3,3,4-tetramethylpentan-2-yl)pentanamide (CID 178050151) is hydrogen peroxide;sulfanol;2,2,4-trimethyl-N-(2,3,3,4-tetramethylpentan-2-yl)pentanamide.
What is the SMILES notation for hydrogen peroxide;sulfanol;2,2,4-trimethyl-N-(2,3,3,4-tetramethylpentan-2-yl)pentanamide?
The canonical SMILES for hydrogen peroxide;sulfanol;2,2,4-trimethyl-N-(2,3,3,4-tetramethylpentan-2-yl)pentanamide is CC(C)CC(C)(C)C(=O)NC(C)(C)C(C)(C)C(C)C.OO.OS.
What is the InChIKey of hydrogen peroxide;sulfanol;2,2,4-trimethyl-N-(2,3,3,4-tetramethylpentan-2-yl)pentanamide?
The InChIKey is YRMYKPQFVDGPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO.H2O2.H2OS/c1-12(2)11-15(5,6)14(19)18-17(9,10)16(7,8)13(3)4;2*1-2/h12-13H,11H2,1-10H3,(H,18,19);2*1-2H.
What are the key properties of hydrogen peroxide;sulfanol;2,2,4-trimethyl-N-(2,3,3,4-tetramethylpentan-2-yl)pentanamide?
hydrogen peroxide;sulfanol;2,2,4-trimethyl-N-(2,3,3,4-tetramethylpentan-2-yl)pentanamide has a molecular weight of 353.57 g/mol, XLogP of 5.04, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen peroxide;sulfanol;2,2,4-trimethyl-N-(2,3,3,4-tetramethylpentan-2-yl)pentanamide is sourced from PubChem (CID 178050151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).