2,2-dimethyl-N'-(4-methylphenyl)sulfonylpropanimidamide

C12H18N2O2S — CID 73166022

IUPAC2,2-dimethyl-N'-(4-methylphenyl)sulfonylpropanimidamide
SMILESCc1ccc(S(=O)(=O)N=C(N)C(C)(C)C)cc1
InChIInChI=1S/C12H18N2O2S/c1-9-5-7-10(8-6-9)17(15,16)14-11(13)12(2,3)4/h5-8H,1-4H3,(H2,13,14)
InChIKeyLBINSRGNYRSLIE-UHFFFAOYSA-N
MW254.36 g/mol
LogP2.09
Rot. Bonds2

About 2,2-dimethyl-N'-(4-methylphenyl)sulfonylpropanimidamide

2,2-dimethyl-N'-(4-methylphenyl)sulfonylpropanimidamide (PubChem CID 73166022) has the molecular formula C12H18N2O2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 2,2-dimethyl-N'-(4-methylphenyl)sulfonylpropanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-N'-(4-methylphenyl)sulfonylpropanimidamide
PubChem CID73166022
Molecular FormulaC12H18N2O2S
Molecular Weight254.36 g/mol
Exact Mass254.11
IUPAC Name2,2-dimethyl-N'-(4-methylphenyl)sulfonylpropanimidamide
SMILESCc1ccc(S(=O)(=O)N=C(N)C(C)(C)C)cc1
InChIInChI=1S/C12H18N2O2S/c1-9-5-7-10(8-6-9)17(15,16)14-11(13)12(2,3)4/h5-8H,1-4H3,(H2,13,14)
InChIKeyLBINSRGNYRSLIE-UHFFFAOYSA-N
XLogP2.09
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-hydroxy-3-methyl-N'-(4-methylphenyl)sulfonylbutanimidamide
CID 158662021
methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate
CID 5368528
1-(dihydroxyamino)-2-(4-methylphenyl)sulfonylguanidine
CID 4610108
2,2,2-trifluoro-N-(4-methylphenyl)sulfonylethanimidoyl chloride
CID 71380234
N'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide
CID 171485898
1-methyl-2-(4-methylphenyl)sulfonyl-1-phenylguanidine
CID 67176300
2,2,2-trichloro-N'-(4-chlorophenyl)sulfonylethanimidamide
CID 2974867
[(Z)-N'-(4-methylphenyl)sulfonylcarbamimidoyl] methanimidothioate
CID 143880078
dimethyl (1Z,4Z)-1-N,4-N-bis-(4-methylphenyl)sulfonylpiperazine-1,4-dicarboximidothioate
CID 14981602
N'-(4-methylphenyl)sulfonylpyrazine-2-carboximidamide
CID 170856051
4-methyl-N'-[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]benzenecarboximidamide
CID 2303263
(NE)-4-methyl-N-[1-(2-methylphenyl)ethylidene]benzenesulfonamide
CID 155906264

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-(4-methylphenyl)sulfonylpropanimidamide?
The IUPAC name of 2,2-dimethyl-N'-(4-methylphenyl)sulfonylpropanimidamide (CID 73166022) is 2,2-dimethyl-N'-(4-methylphenyl)sulfonylpropanimidamide.
What is the SMILES notation for 2,2-dimethyl-N'-(4-methylphenyl)sulfonylpropanimidamide?
The canonical SMILES for 2,2-dimethyl-N'-(4-methylphenyl)sulfonylpropanimidamide is Cc1ccc(S(=O)(=O)N=C(N)C(C)(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-N'-(4-methylphenyl)sulfonylpropanimidamide?
The InChIKey is LBINSRGNYRSLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-5-7-10(8-6-9)17(15,16)14-11(13)12(2,3)4/h5-8H,1-4H3,(H2,13,14).
What are the key properties of 2,2-dimethyl-N'-(4-methylphenyl)sulfonylpropanimidamide?
2,2-dimethyl-N'-(4-methylphenyl)sulfonylpropanimidamide has a molecular weight of 254.36 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-(4-methylphenyl)sulfonylpropanimidamide is sourced from PubChem (CID 73166022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).