2-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide

C10H14N2O2S2 — CID 63659215

IUPAC2-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1SCCS(C)(=O)=O
InChIInChI=1S/C10H14N2O2S2/c1-16(13,14)7-6-15-9-5-3-2-4-8(9)10(11)12/h2-5H,6-7H2,1H3,(H3,11,12)
InChIKeyNIDFNLVVTPLVLA-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.11
Rot. Bonds5

About 2-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide

2-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide (PubChem CID 63659215) has the molecular formula C10H14N2O2S2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide
PubChem CID63659215
Molecular FormulaC10H14N2O2S2
Molecular Weight258.37 g/mol
Exact Mass258.05
IUPAC Name2-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1SCCS(C)(=O)=O
InChIInChI=1S/C10H14N2O2S2/c1-16(13,14)7-6-15-9-5-3-2-4-8(9)10(11)12/h2-5H,6-7H2,1H3,(H3,11,12)
InChIKeyNIDFNLVVTPLVLA-UHFFFAOYSA-N
XLogP1.11
TPSA84.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-bromo-4-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide
CID 82799592
2,6-dimethyl-4-(2-methylsulfonylethylsulfanyl)pyridine-3-carboximidamide
CID 81051551
2-[(4-methylsulfonylphenyl)sulfanylmethyl]benzenecarboximidamide
CID 63238309
[2-ethylsulfanyl-6-(2-methylsulfonylethylsulfanyl)phenyl]methanamine
CID 113385985
2-prop-1-en-2-ylbenzenecarboximidamide
CID 147713579
2-methylsulfonylethyl carbamimidothioate
CID 3799956
2-(2-tert-butylsulfonylethylsulfanyl)benzoic acid
CID 113242482
4-(2-methylsulfonylethoxy)benzenecarboximidamide
CID 61058800
4-(2-methylsulfonylethylsulfanyl)pyridin-3-amine
CID 60917186
2-(2-nitrophenyl)sulfanylbenzenecarboximidamide
CID 43439407
2-chloro-6-(2-methylsulfonylethylsulfanyl)benzoic acid
CID 55245659
3-methyl-2-propan-2-ylsulfanylbenzenecarboximidamide
CID 107111025

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide?
The IUPAC name of 2-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide (CID 63659215) is 2-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide.
What is the SMILES notation for 2-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide?
The canonical SMILES for 2-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide is [H]/N=C(\N)c1ccccc1SCCS(C)(=O)=O.
What is the InChIKey of 2-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide?
The InChIKey is NIDFNLVVTPLVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S2/c1-16(13,14)7-6-15-9-5-3-2-4-8(9)10(11)12/h2-5H,6-7H2,1H3,(H3,11,12).
What are the key properties of 2-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide?
2-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide has a molecular weight of 258.37 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethylsulfanyl)benzenecarboximidamide is sourced from PubChem (CID 63659215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).