4-(2-methylsulfonylethoxy)benzenecarboximidamide

C10H14N2O3S — CID 61058800

IUPAC4-(2-methylsulfonylethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCS(C)(=O)=O)cc1
InChIInChI=1S/C10H14N2O3S/c1-16(13,14)7-6-15-9-4-2-8(3-5-9)10(11)12/h2-5H,6-7H2,1H3,(H3,11,12)
InChIKeyNVPUPNXCOWCUIK-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.39
Rot. Bonds5

About 4-(2-methylsulfonylethoxy)benzenecarboximidamide

4-(2-methylsulfonylethoxy)benzenecarboximidamide (PubChem CID 61058800) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-(2-methylsulfonylethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-(2-methylsulfonylethoxy)benzenecarboximidamide
PubChem CID61058800
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name4-(2-methylsulfonylethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCS(C)(=O)=O)cc1
InChIInChI=1S/C10H14N2O3S/c1-16(13,14)7-6-15-9-4-2-8(3-5-9)10(11)12/h2-5H,6-7H2,1H3,(H3,11,12)
InChIKeyNVPUPNXCOWCUIK-UHFFFAOYSA-N
XLogP0.39
TPSA93.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.39
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

4-(2-tert-butylsulfonylethoxy)benzenecarboximidamide
CID 106725471
4-butoxybenzenecarboximidamide
CID 3015454
4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;hydrochloride
CID 44573593
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;dihydrochloride
CID 10431865
4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane
CID 158584747
3,5-dimethyl-4-(2-methylsulfonylethoxy)benzenecarboximidamide
CID 65471366
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;platinum(2+);diiodide
CID 10056078
4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide
CID 143436452
[amino-[4-[5-(4-carbamimidoylphenoxy)pentoxy]phenyl]methylidene]azanium
CID 24848374
4-octoxybenzenecarboximidamide
CID 3302492
4-[2-[bis[2-(4-carbamimidoylphenoxy)ethyl]amino]ethoxy]benzenecarboximidamide
CID 139715205
4-[2-(dimethylamino)ethoxy]benzenecarboximidamide;hydrochloride
CID 82240588

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfonylethoxy)benzenecarboximidamide?
The IUPAC name of 4-(2-methylsulfonylethoxy)benzenecarboximidamide (CID 61058800) is 4-(2-methylsulfonylethoxy)benzenecarboximidamide.
What is the SMILES notation for 4-(2-methylsulfonylethoxy)benzenecarboximidamide?
The canonical SMILES for 4-(2-methylsulfonylethoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCS(C)(=O)=O)cc1.
What is the InChIKey of 4-(2-methylsulfonylethoxy)benzenecarboximidamide?
The InChIKey is NVPUPNXCOWCUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-16(13,14)7-6-15-9-4-2-8(3-5-9)10(11)12/h2-5H,6-7H2,1H3,(H3,11,12).
What are the key properties of 4-(2-methylsulfonylethoxy)benzenecarboximidamide?
4-(2-methylsulfonylethoxy)benzenecarboximidamide has a molecular weight of 242.30 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfonylethoxy)benzenecarboximidamide is sourced from PubChem (CID 61058800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).