N'-(6-hydroxy-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide

C11H24N2O3S — CID 139619639

IUPACN'-(6-hydroxy-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide
SMILESCN(C)C=NS(=O)(=O)CCCC(C)(C)CCO
InChIInChI=1S/C11H24N2O3S/c1-11(2,7-8-14)6-5-9-17(15,16)12-10-13(3)4/h10,14H,5-9H2,1-4H3
InChIKeyJREBCNVIRNZIFS-UHFFFAOYSA-N
MW264.39 g/mol
LogP1.09
Rot. Bonds8

About N'-(6-hydroxy-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide

N'-(6-hydroxy-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide (PubChem CID 139619639) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is N'-(6-hydroxy-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(6-hydroxy-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide
PubChem CID139619639
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC NameN'-(6-hydroxy-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide
SMILESCN(C)C=NS(=O)(=O)CCCC(C)(C)CCO
InChIInChI=1S/C11H24N2O3S/c1-11(2,7-8-14)6-5-9-17(15,16)12-10-13(3)4/h10,14H,5-9H2,1-4H3
InChIKeyJREBCNVIRNZIFS-UHFFFAOYSA-N
XLogP1.09
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(6-iodo-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide
CID 18954714
N'-(4-iodo-3,3-dimethylbutyl)sulfonyl-N,N-dimethylmethanimidamide
CID 10831413
7-fluoro-3,3,7-trimethyloctan-1-ol
CID 138725917
N,N-dimethyl-N'-methylsulfonylmethanimidamide;methane
CID 159547919
6-amino-3,3-dimethylhexan-1-ol
CID 134232147
N,N-dimethyl-N'-(trifluoromethylsulfonyl)methanimidamide
CID 12066207
3,3-dimethyloctan-1-ol
CID 18704344
N'-butylsulfonyl-N,N-diethylmethanimidamide
CID 177399204
1,17-dihydroxy-3,3,15,15-tetramethylheptadecane-7,11-dione
CID 23431441
6-[3-(6-hydroxy-4,4-dimethylhexyl)sulfinylpropylsulfinyl]-3,3-dimethylhexan-1-ol
CID 18752634
4-[2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methylheptane-1,7-disulfonic acid
CID 89397530
10-(5,5-dimethyl-8-methylsulfonyloctoxy)-6,6-dimethyldecan-1-ol
CID 20805189

Frequently Asked Questions

What is the IUPAC name of N'-(6-hydroxy-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(6-hydroxy-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide (CID 139619639) is N'-(6-hydroxy-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(6-hydroxy-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(6-hydroxy-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide is CN(C)C=NS(=O)(=O)CCCC(C)(C)CCO.
What is the InChIKey of N'-(6-hydroxy-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide?
The InChIKey is JREBCNVIRNZIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-11(2,7-8-14)6-5-9-17(15,16)12-10-13(3)4/h10,14H,5-9H2,1-4H3.
What are the key properties of N'-(6-hydroxy-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide?
N'-(6-hydroxy-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide has a molecular weight of 264.39 g/mol, XLogP of 1.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-hydroxy-4,4-dimethylhexyl)sulfonyl-N,N-dimethylmethanimidamide is sourced from PubChem (CID 139619639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).