methyl N-(3-oxobutan-2-ylsulfamoyl)carbamate

C6H12N2O5S — CID 114463731

IUPACmethyl N-(3-oxobutan-2-ylsulfamoyl)carbamate
SMILESCOC(=O)NS(=O)(=O)NC(C)C(C)=O
InChIInChI=1S/C6H12N2O5S/c1-4(5(2)9)7-14(11,12)8-6(10)13-3/h4,7H,1-3H3,(H,8,10)
InChIKeyMMRQZDLLKAVSKR-UHFFFAOYSA-N
MW224.24 g/mol
LogP-0.85
Rot. Bonds4

About methyl N-(3-oxobutan-2-ylsulfamoyl)carbamate

methyl N-(3-oxobutan-2-ylsulfamoyl)carbamate (PubChem CID 114463731) has the molecular formula C6H12N2O5S and a molecular weight of 224.24 g/mol. Its IUPAC name is methyl N-(3-oxobutan-2-ylsulfamoyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-oxobutan-2-ylsulfamoyl)carbamate
PubChem CID114463731
Molecular FormulaC6H12N2O5S
Molecular Weight224.24 g/mol
Exact Mass224.05
IUPAC Namemethyl N-(3-oxobutan-2-ylsulfamoyl)carbamate
SMILESCOC(=O)NS(=O)(=O)NC(C)C(C)=O
InChIInChI=1S/C6H12N2O5S/c1-4(5(2)9)7-14(11,12)8-6(10)13-3/h4,7H,1-3H3,(H,8,10)
InChIKeyMMRQZDLLKAVSKR-UHFFFAOYSA-N
XLogP-0.85
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]propanoate
CID 15014351
N-[(2R)-3-oxobutan-2-yl]propane-2-sulfonamide
CID 122663020
3-(cyclopropylsulfamoylamino)butan-2-one
CID 114808600
methyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate
CID 106185569
methyl N-(2-aminopropylsulfamoyl)carbamate
CID 114464784
tert-butyl N-(propan-2-ylsulfamoyl)carbamate;molecular hydrogen
CID 176960460
methyl N-[bis(4-methoxyphenyl)methylsulfamoyl]carbamate
CID 171986570
methyl N-(hex-5-yn-3-ylsulfamoyl)carbamate
CID 114466108
(2S)-5-methoxy-2-(methoxycarbonylsulfamoylamino)-5-oxopentanoic acid
CID 114005093
methyl 2-(methoxycarbonylsulfamoylamino)-2-phenylacetate
CID 114465514
methyl N-[(4-chloro-1-methoxybutan-2-yl)sulfamoyl]carbamate
CID 106158321
methyl N-(2,2-dimethoxyethylsulfamoyl)carbamate
CID 114463719

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-oxobutan-2-ylsulfamoyl)carbamate?
The IUPAC name of methyl N-(3-oxobutan-2-ylsulfamoyl)carbamate (CID 114463731) is methyl N-(3-oxobutan-2-ylsulfamoyl)carbamate.
What is the SMILES notation for methyl N-(3-oxobutan-2-ylsulfamoyl)carbamate?
The canonical SMILES for methyl N-(3-oxobutan-2-ylsulfamoyl)carbamate is COC(=O)NS(=O)(=O)NC(C)C(C)=O.
What is the InChIKey of methyl N-(3-oxobutan-2-ylsulfamoyl)carbamate?
The InChIKey is MMRQZDLLKAVSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O5S/c1-4(5(2)9)7-14(11,12)8-6(10)13-3/h4,7H,1-3H3,(H,8,10).
What are the key properties of methyl N-(3-oxobutan-2-ylsulfamoyl)carbamate?
methyl N-(3-oxobutan-2-ylsulfamoyl)carbamate has a molecular weight of 224.24 g/mol, XLogP of -0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-oxobutan-2-ylsulfamoyl)carbamate is sourced from PubChem (CID 114463731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).