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

C10H14N2O2S — CID 86108427

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

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

N-(benzenesulfonyl)-N,N'-dimethylethanimidamide (PubChem CID 86108427) 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 CID86108427
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC NameN-(benzenesulfonyl)-N,N'-dimethylethanimidamide
SMILESC/N=C(\C)N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H14N2O2S/c1-9(11-2)12(3)15(13,14)10-7-5-4-6-8-10/h4-8H,1-3H3/b11-9+
InChIKeyCBOGNBARKODQRK-PKNBQFBNSA-N
XLogP1.36
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
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 ≤ 103

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 86108427) 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/N=C(\C)N(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-N,N'-dimethylethanimidamide?
The InChIKey is CBOGNBARKODQRK-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-9(11-2)12(3)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 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N,N'-dimethylethanimidamide is sourced from PubChem (CID 86108427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).