methyl N-[(2,5-dimethoxyphenyl)sulfonylamino]carbamate

C10H14N2O6S — CID 8501055

IUPACmethyl N-[(2,5-dimethoxyphenyl)sulfonylamino]carbamate
SMILESCOC(=O)NNS(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C10H14N2O6S/c1-16-7-4-5-8(17-2)9(6-7)19(14,15)12-11-10(13)18-3/h4-6,12H,1-3H3,(H,11,13)
InChIKeyRTKVBXURXQTYAC-UHFFFAOYSA-N
MW290.30 g/mol
LogP0.25
Rot. Bonds5

About methyl N-[(2,5-dimethoxyphenyl)sulfonylamino]carbamate

methyl N-[(2,5-dimethoxyphenyl)sulfonylamino]carbamate (PubChem CID 8501055) has the molecular formula C10H14N2O6S and a molecular weight of 290.30 g/mol. Its IUPAC name is methyl N-[(2,5-dimethoxyphenyl)sulfonylamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(2,5-dimethoxyphenyl)sulfonylamino]carbamate
PubChem CID8501055
Molecular FormulaC10H14N2O6S
Molecular Weight290.30 g/mol
Exact Mass290.06
IUPAC Namemethyl N-[(2,5-dimethoxyphenyl)sulfonylamino]carbamate
SMILESCOC(=O)NNS(=O)(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C10H14N2O6S/c1-16-7-4-5-8(17-2)9(6-7)19(14,15)12-11-10(13)18-3/h4-6,12H,1-3H3,(H,11,13)
InChIKeyRTKVBXURXQTYAC-UHFFFAOYSA-N
XLogP0.25
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2,5-dimethoxyphenyl)sulfonylacetohydrazide
CID 8500750
N-cyclopropyl-2-[2-(2,5-dimethoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide
CID 8841327
N'-(2,5-dimethoxyphenyl)sulfonyl-2-methylfuran-3-carbohydrazide
CID 8615856
4-bromo-N'-(2,5-dimethoxyphenyl)sulfonyl-1H-pyrrole-2-carbohydrazide
CID 8823855
[(2,4-dimethoxyphenyl)sulfonylamino]urea
CID 140662030
methyl N-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]carbamate
CID 71890321
N-(2,5-dimethoxyphenyl)sulfonyl-2-methoxypropanamide
CID 47347665
N'-(2,5-dimethoxyphenyl)sulfonyl-2-(2-methyl-1,3-thiazol-4-yl)acetohydrazide
CID 4828143
N'-(2,5-dimethoxyphenyl)sulfonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 26952094
3,5-dimethoxy-N'-(2-methoxy-5-methylphenyl)sulfonylbenzohydrazide
CID 8515948
methyl N-[(2,5-dimethoxyphenyl)carbamothioylamino]carbamate
CID 970721
N-(2,3-dihydroxypropyl)-2,5-dimethoxybenzenesulfonamide
CID 66175426

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2,5-dimethoxyphenyl)sulfonylamino]carbamate?
The IUPAC name of methyl N-[(2,5-dimethoxyphenyl)sulfonylamino]carbamate (CID 8501055) is methyl N-[(2,5-dimethoxyphenyl)sulfonylamino]carbamate.
What is the SMILES notation for methyl N-[(2,5-dimethoxyphenyl)sulfonylamino]carbamate?
The canonical SMILES for methyl N-[(2,5-dimethoxyphenyl)sulfonylamino]carbamate is COC(=O)NNS(=O)(=O)c1cc(OC)ccc1OC.
What is the InChIKey of methyl N-[(2,5-dimethoxyphenyl)sulfonylamino]carbamate?
The InChIKey is RTKVBXURXQTYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O6S/c1-16-7-4-5-8(17-2)9(6-7)19(14,15)12-11-10(13)18-3/h4-6,12H,1-3H3,(H,11,13).
What are the key properties of methyl N-[(2,5-dimethoxyphenyl)sulfonylamino]carbamate?
methyl N-[(2,5-dimethoxyphenyl)sulfonylamino]carbamate has a molecular weight of 290.30 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2,5-dimethoxyphenyl)sulfonylamino]carbamate is sourced from PubChem (CID 8501055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).