N'-(5-tert-butyl-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide

C14H22N2O3S — CID 13210300

IUPACN'-(5-tert-butyl-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide
SMILESCOc1ccc(C(C)(C)C)cc1S(=O)(=O)/N=C/N(C)C
InChIInChI=1S/C14H22N2O3S/c1-14(2,3)11-7-8-12(19-6)13(9-11)20(17,18)15-10-16(4)5/h7-10H,1-6H3/b15-10+
InChIKeyYARMECHUGFZFMA-XNTDXEJSSA-N
MW298.41 g/mol
LogP2.27
Rot. Bonds4

About N'-(5-tert-butyl-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide

N'-(5-tert-butyl-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide (PubChem CID 13210300) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N'-(5-tert-butyl-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(5-tert-butyl-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide
PubChem CID13210300
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN'-(5-tert-butyl-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide
SMILESCOc1ccc(C(C)(C)C)cc1S(=O)(=O)/N=C/N(C)C
InChIInChI=1S/C14H22N2O3S/c1-14(2,3)11-7-8-12(19-6)13(9-11)20(17,18)15-10-16(4)5/h7-10H,1-6H3/b15-10+
InChIKeyYARMECHUGFZFMA-XNTDXEJSSA-N
XLogP2.27
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.27
H-Bond Donors ≤ 50
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'-(4-amino-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide
CID 59020464
4-tert-butyl-2-(dimethylsulfamoylamino)-1-methoxybenzene
CID 110776709
1-(5-tert-butyl-2-methoxyphenyl)sulfonylpyrrolidine
CID 935087
5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 110757527
1-(5-tert-butyl-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914596
5-(2-fluoropropan-2-yl)-2-methoxybenzenesulfonyl chloride
CID 84711706
5-tert-butyl-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide
CID 850108
N-[(2R)-butan-2-yl]-5-tert-butyl-2-methoxybenzenesulfonamide
CID 42065813
5-tert-butyl-2-methoxy-N-(methoxymethyl)-N-methylaniline
CID 115258334
2-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride
CID 53399143
4-tert-butyl-1-methoxy-2-(methylsulfonylmethyl)benzene
CID 160796966
5-tert-butyl-2-methoxy-N-(3-methoxypropyl)benzenesulfonamide
CID 110757529

Frequently Asked Questions

What is the IUPAC name of N'-(5-tert-butyl-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(5-tert-butyl-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide (CID 13210300) is N'-(5-tert-butyl-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(5-tert-butyl-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(5-tert-butyl-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide is COc1ccc(C(C)(C)C)cc1S(=O)(=O)/N=C/N(C)C.
What is the InChIKey of N'-(5-tert-butyl-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide?
The InChIKey is YARMECHUGFZFMA-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-14(2,3)11-7-8-12(19-6)13(9-11)20(17,18)15-10-16(4)5/h7-10H,1-6H3/b15-10+.
What are the key properties of N'-(5-tert-butyl-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide?
N'-(5-tert-butyl-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide has a molecular weight of 298.41 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-tert-butyl-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide is sourced from PubChem (CID 13210300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).