N',N'-dimethyl-N-(4-sulfanyloxyphenyl)oxamide

C10H12N2O3S — CID 122659162

IUPACN',N'-dimethyl-N-(4-sulfanyloxyphenyl)oxamide
SMILESCN(C)C(=O)C(=O)Nc1ccc(OS)cc1
InChIInChI=1S/C10H12N2O3S/c1-12(2)10(14)9(13)11-7-3-5-8(15-16)6-4-7/h3-6,16H,1-2H3,(H,11,13)
InChIKeyQKLXTLUXHQHUIX-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.94
Rot. Bonds2

About N',N'-dimethyl-N-(4-sulfanyloxyphenyl)oxamide

N',N'-dimethyl-N-(4-sulfanyloxyphenyl)oxamide (PubChem CID 122659162) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is N',N'-dimethyl-N-(4-sulfanyloxyphenyl)oxamide.

Molecular Properties

Compound NameN',N'-dimethyl-N-(4-sulfanyloxyphenyl)oxamide
PubChem CID122659162
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC NameN',N'-dimethyl-N-(4-sulfanyloxyphenyl)oxamide
SMILESCN(C)C(=O)C(=O)Nc1ccc(OS)cc1
InChIInChI=1S/C10H12N2O3S/c1-12(2)10(14)9(13)11-7-3-5-8(15-16)6-4-7/h3-6,16H,1-2H3,(H,11,13)
InChIKeyQKLXTLUXHQHUIX-UHFFFAOYSA-N
XLogP0.94
TPSA58.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(4-sulfanyloxyphenyl)oxamide?
The IUPAC name of N',N'-dimethyl-N-(4-sulfanyloxyphenyl)oxamide (CID 122659162) is N',N'-dimethyl-N-(4-sulfanyloxyphenyl)oxamide.
What is the SMILES notation for N',N'-dimethyl-N-(4-sulfanyloxyphenyl)oxamide?
The canonical SMILES for N',N'-dimethyl-N-(4-sulfanyloxyphenyl)oxamide is CN(C)C(=O)C(=O)Nc1ccc(OS)cc1.
What is the InChIKey of N',N'-dimethyl-N-(4-sulfanyloxyphenyl)oxamide?
The InChIKey is QKLXTLUXHQHUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-12(2)10(14)9(13)11-7-3-5-8(15-16)6-4-7/h3-6,16H,1-2H3,(H,11,13).
What are the key properties of N',N'-dimethyl-N-(4-sulfanyloxyphenyl)oxamide?
N',N'-dimethyl-N-(4-sulfanyloxyphenyl)oxamide has a molecular weight of 240.28 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(4-sulfanyloxyphenyl)oxamide is sourced from PubChem (CID 122659162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).