N'-(benzenesulfonyl)-N,N-dimethylethanimidamide

C10H14N2O2S — CID 13115460

IUPACN'-(benzenesulfonyl)-N,N-dimethylethanimidamide
SMILESC/C(=N\S(=O)(=O)c1ccccc1)N(C)C
InChIInChI=1S/C10H14N2O2S/c1-9(12(2)3)11-15(13,14)10-7-5-4-6-8-10/h4-8H,1-3H3/b11-9+
InChIKeyPDNTYXCQOWWERJ-PKNBQFBNSA-N
MW226.30 g/mol
LogP1.36
Rot. Bonds2

About N'-(benzenesulfonyl)-N,N-dimethylethanimidamide

N'-(benzenesulfonyl)-N,N-dimethylethanimidamide (PubChem CID 13115460) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-N,N-dimethylethanimidamide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-N,N-dimethylethanimidamide
PubChem CID13115460
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC NameN'-(benzenesulfonyl)-N,N-dimethylethanimidamide
SMILESC/C(=N\S(=O)(=O)c1ccccc1)N(C)C
InChIInChI=1S/C10H14N2O2S/c1-9(12(2)3)11-15(13,14)10-7-5-4-6-8-10/h4-8H,1-3H3/b11-9+
InChIKeyPDNTYXCQOWWERJ-PKNBQFBNSA-N
XLogP1.36
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.36
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-N,N-dimethylethanimidamide?
The IUPAC name of N'-(benzenesulfonyl)-N,N-dimethylethanimidamide (CID 13115460) is N'-(benzenesulfonyl)-N,N-dimethylethanimidamide.
What is the SMILES notation for N'-(benzenesulfonyl)-N,N-dimethylethanimidamide?
The canonical SMILES for N'-(benzenesulfonyl)-N,N-dimethylethanimidamide is C/C(=N\S(=O)(=O)c1ccccc1)N(C)C.
What is the InChIKey of N'-(benzenesulfonyl)-N,N-dimethylethanimidamide?
The InChIKey is PDNTYXCQOWWERJ-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-9(12(2)3)11-15(13,14)10-7-5-4-6-8-10/h4-8H,1-3H3/b11-9+.
What are the key properties of N'-(benzenesulfonyl)-N,N-dimethylethanimidamide?
N'-(benzenesulfonyl)-N,N-dimethylethanimidamide has a molecular weight of 226.30 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-N,N-dimethylethanimidamide is sourced from PubChem (CID 13115460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).