N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)hexanimidamide

C19H32N2O2S — CID 75168284

IUPACN'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)hexanimidamide
SMILESCCCCCC(=NS(=O)(=O)c1ccc(C)cc1)N(C(C)C)C(C)C
InChIInChI=1S/C19H32N2O2S/c1-7-8-9-10-19(21(15(2)3)16(4)5)20-24(22,23)18-13-11-17(6)12-14-18/h11-16H,7-10H2,1-6H3
InChIKeyHLRHRKJGUBHRFJ-UHFFFAOYSA-N
MW352.54 g/mol
LogP4.78
Rot. Bonds8

About N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)hexanimidamide

N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)hexanimidamide (PubChem CID 75168284) has the molecular formula C19H32N2O2S and a molecular weight of 352.54 g/mol. Its IUPAC name is N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)hexanimidamide.

Molecular Properties

Compound NameN'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)hexanimidamide
PubChem CID75168284
Molecular FormulaC19H32N2O2S
Molecular Weight352.54 g/mol
Exact Mass352.22
IUPAC NameN'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)hexanimidamide
SMILESCCCCCC(=NS(=O)(=O)c1ccc(C)cc1)N(C(C)C)C(C)C
InChIInChI=1S/C19H32N2O2S/c1-7-8-9-10-19(21(15(2)3)16(4)5)20-24(22,23)18-13-11-17(6)12-14-18/h11-16H,7-10H2,1-6H3
InChIKeyHLRHRKJGUBHRFJ-UHFFFAOYSA-N
XLogP4.78
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.54
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)pentanimidamide
CID 46225390
N,N-diethyl-N'-(4-methylphenyl)sulfonyldodecanimidamide
CID 14580436
N'-(4-methylphenyl)sulfonyl-2-phenyl-N,N-di(propan-2-yl)ethanimidamide
CID 46225391
N'-(4-chlorophenyl)sulfonyl-N,N-diethylheptanimidamide
CID 177430117
methyl N-(4-methylphenyl)sulfonylpentanimidate
CID 74988744
2-(6-methoxynaphthalen-2-yl)-N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)ethanimidamide
CID 177420314
N-(4-methylphenyl)sulfonylhexanehydrazide
CID 139038475
N-(4-methylphenyl)sulfonylhexanehydrazide
CID 102300698
1-[(2R)-heptan-2-yl]sulfonyl-4-methylbenzene
CID 132821411
N-[(4-methylphenyl)-morpholin-4-yl-oxo-λ6-sulfanylidene]-N'-(4-methylphenyl)sulfonylheptanimidamide
CID 177445516
4-methylbenzenesulfonic acid;octadecanamide
CID 174323507
heptan-2-ol;4-methylbenzenesulfonic acid
CID 71366776

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)hexanimidamide?
The IUPAC name of N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)hexanimidamide (CID 75168284) is N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)hexanimidamide.
What is the SMILES notation for N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)hexanimidamide?
The canonical SMILES for N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)hexanimidamide is CCCCCC(=NS(=O)(=O)c1ccc(C)cc1)N(C(C)C)C(C)C.
What is the InChIKey of N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)hexanimidamide?
The InChIKey is HLRHRKJGUBHRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2S/c1-7-8-9-10-19(21(15(2)3)16(4)5)20-24(22,23)18-13-11-17(6)12-14-18/h11-16H,7-10H2,1-6H3.
What are the key properties of N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)hexanimidamide?
N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)hexanimidamide has a molecular weight of 352.54 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylphenyl)sulfonyl-N,N-di(propan-2-yl)hexanimidamide is sourced from PubChem (CID 75168284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).