N,N-dimethyl-N'-thiophen-2-ylsulfonylbenzenecarboximidamide

C13H14N2O2S2 — CID 75459336

IUPACN,N-dimethyl-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
SMILESCN(C)/C(=N/S(=O)(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C13H14N2O2S2/c1-15(2)13(11-7-4-3-5-8-11)14-19(16,17)12-9-6-10-18-12/h3-10H,1-2H3/b14-13+
InChIKeyVKPAALSISDVZLM-BUHFOSPRSA-N
MW294.40 g/mol
LogP2.45
Rot. Bonds3

About N,N-dimethyl-N'-thiophen-2-ylsulfonylbenzenecarboximidamide

N,N-dimethyl-N'-thiophen-2-ylsulfonylbenzenecarboximidamide (PubChem CID 75459336) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N,N-dimethyl-N'-thiophen-2-ylsulfonylbenzenecarboximidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
PubChem CID75459336
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC NameN,N-dimethyl-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
SMILESCN(C)/C(=N/S(=O)(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C13H14N2O2S2/c1-15(2)13(11-7-4-3-5-8-11)14-19(16,17)12-9-6-10-18-12/h3-10H,1-2H3/b14-13+
InChIKeyVKPAALSISDVZLM-BUHFOSPRSA-N
XLogP2.45
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.45
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-benzhydrylidenethiophene-2-sulfonamide
CID 176730447
N-thiophen-2-ylsulfonylbenzenecarboximidoyl chloride
CID 3688340
N-(1,3-thiazol-2-yl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
CID 2234502
N-(4-ethoxyphenyl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
CID 6109154
methyl N'-thiophen-2-ylsulfonylcarbamimidate
CID 74002349
(1E)-2-chloro-N-thiophen-2-ylsulfonylbenzenecarboximidoyl chloride
CID 18871859
N'-(benzenesulfonyl)-N-methyl-N-phenylbenzenecarboximidamide
CID 6519001
N-[3,4-dihydro-2H-quinolin-1-yl(phenyl)methylidene]thiophene-2-sulfonamide
CID 2317504
N-sulfonylthiophene-2-sulfonamide
CID 88522112
N-[(2-chlorophenyl)-(2-fluorophenyl)methylidene]thiophene-2-sulfonamide
CID 3445264
N-ethylidenethiophene-2-sulfonamide
CID 141046508
N-[(2-hydroxyphenyl)methylidene]thiophene-2-sulfonamide
CID 687527

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-thiophen-2-ylsulfonylbenzenecarboximidamide?
The IUPAC name of N,N-dimethyl-N'-thiophen-2-ylsulfonylbenzenecarboximidamide (CID 75459336) is N,N-dimethyl-N'-thiophen-2-ylsulfonylbenzenecarboximidamide.
What is the SMILES notation for N,N-dimethyl-N'-thiophen-2-ylsulfonylbenzenecarboximidamide?
The canonical SMILES for N,N-dimethyl-N'-thiophen-2-ylsulfonylbenzenecarboximidamide is CN(C)/C(=N/S(=O)(=O)c1cccs1)c1ccccc1.
What is the InChIKey of N,N-dimethyl-N'-thiophen-2-ylsulfonylbenzenecarboximidamide?
The InChIKey is VKPAALSISDVZLM-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H14N2O2S2/c1-15(2)13(11-7-4-3-5-8-11)14-19(16,17)12-9-6-10-18-12/h3-10H,1-2H3/b14-13+.
What are the key properties of N,N-dimethyl-N'-thiophen-2-ylsulfonylbenzenecarboximidamide?
N,N-dimethyl-N'-thiophen-2-ylsulfonylbenzenecarboximidamide has a molecular weight of 294.40 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-thiophen-2-ylsulfonylbenzenecarboximidamide is sourced from PubChem (CID 75459336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).