N'-(4-amino-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide

C10H15N3O3S — CID 59020464

IUPACN'-(4-amino-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide
SMILESCOc1cc(N)ccc1S(=O)(=O)/N=C/N(C)C
InChIInChI=1S/C10H15N3O3S/c1-13(2)7-12-17(14,15)10-5-4-8(11)6-9(10)16-3/h4-7H,11H2,1-3H3/b12-7+
InChIKeyIWFABZFCYBCOEE-KPKJPENVSA-N
MW257.31 g/mol
LogP0.56
Rot. Bonds4

About N'-(4-amino-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide

N'-(4-amino-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide (PubChem CID 59020464) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is N'-(4-amino-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(4-amino-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide
PubChem CID59020464
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC NameN'-(4-amino-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide
SMILESCOc1cc(N)ccc1S(=O)(=O)/N=C/N(C)C
InChIInChI=1S/C10H15N3O3S/c1-13(2)7-12-17(14,15)10-5-4-8(11)6-9(10)16-3/h4-7H,11H2,1-3H3/b12-7+
InChIKeyIWFABZFCYBCOEE-KPKJPENVSA-N
XLogP0.56
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethylsulfonyl-3-methoxyaniline
CID 81207779
4-amino-2-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 55135939
4-amino-N-benzyl-2-methoxy-N-methylbenzenesulfonamide
CID 43258003
2-(4-amino-2-methoxyphenyl)sulfonyl-N-methyl-N-propan-2-ylacetamide
CID 81206794
2-[(4-amino-2-methoxyphenyl)sulfonylamino]-N,N-dimethylacetamide
CID 43310749
4-cyclopentylsulfonyl-3-methoxyaniline
CID 81207041
4-amino-N-(2-chloro-5-methylphenyl)-2-methoxybenzenesulfonamide
CID 107624522
2-(4-amino-2-methoxyphenyl)sulfonyl-N-methylpropanamide
CID 81206553
4-(cyclohexylmethylsulfonyl)-3-methoxyaniline
CID 81206561
4-benzylsulfonyl-3-methoxyaniline
CID 81207616
4-(3,5-dimethylcyclohexyl)sulfonyl-3-methoxyaniline
CID 81207202
N'-[2-chloro-5-(2,3-dichloro-4-methoxybenzoyl)phenyl]sulfonyl-N,N-dimethylmethanimidamide
CID 70514970

Frequently Asked Questions

What is the IUPAC name of N'-(4-amino-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(4-amino-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide (CID 59020464) is N'-(4-amino-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(4-amino-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(4-amino-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide is COc1cc(N)ccc1S(=O)(=O)/N=C/N(C)C.
What is the InChIKey of N'-(4-amino-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide?
The InChIKey is IWFABZFCYBCOEE-KPKJPENVSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-13(2)7-12-17(14,15)10-5-4-8(11)6-9(10)16-3/h4-7H,11H2,1-3H3/b12-7+.
What are the key properties of N'-(4-amino-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide?
N'-(4-amino-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide has a molecular weight of 257.31 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-amino-2-methoxyphenyl)sulfonyl-N,N-dimethylmethanimidamide is sourced from PubChem (CID 59020464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).