propan-2-yl N-(ethoxysulfamoyl)carbamate

C6H14N2O5S — CID 114463121

IUPACpropan-2-yl N-(ethoxysulfamoyl)carbamate
SMILESCCONS(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C6H14N2O5S/c1-4-12-8-14(10,11)7-6(9)13-5(2)3/h5,8H,4H2,1-3H3,(H,7,9)
InChIKeyBNSJDROSRGIMPE-UHFFFAOYSA-N
MW226.25 g/mol
LogP-0.09
Rot. Bonds5

About propan-2-yl N-(ethoxysulfamoyl)carbamate

propan-2-yl N-(ethoxysulfamoyl)carbamate (PubChem CID 114463121) has the molecular formula C6H14N2O5S and a molecular weight of 226.25 g/mol. Its IUPAC name is propan-2-yl N-(ethoxysulfamoyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(ethoxysulfamoyl)carbamate
PubChem CID114463121
Molecular FormulaC6H14N2O5S
Molecular Weight226.25 g/mol
Exact Mass226.06
IUPAC Namepropan-2-yl N-(ethoxysulfamoyl)carbamate
SMILESCCONS(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C6H14N2O5S/c1-4-12-8-14(10,11)7-6(9)13-5(2)3/h5,8H,4H2,1-3H3,(H,7,9)
InChIKeyBNSJDROSRGIMPE-UHFFFAOYSA-N
XLogP-0.09
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl N-[(2-amino-2-oxoethoxy)sulfamoyl]carbamate
CID 114463139
propan-2-yl N-(butan-2-ylsulfamoyl)carbamate
CID 114463084
propan-2-yl N-[2-(methylamino)propylsulfamoyl]carbamate
CID 103512534
2-[(propan-2-yloxycarbonylsulfamoylamino)methyl]butanoic acid
CID 114462771
propan-2-yl N-[(3-ethyl-2-hydroxypentyl)sulfamoyl]carbamate
CID 106288291
2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
CID 114462104
propan-2-yl N-[(2-chloro-3-methylbutyl)sulfamoyl]carbamate
CID 114466894
propan-2-yl N-[(3-amino-2-methylpropyl)sulfamoyl]carbamate
CID 114461386
(2S)-2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoic acid
CID 107835199
propan-2-yl N-(1-chlorobutan-2-ylsulfamoyl)carbamate
CID 114466308
propan-2-yl N-(2-chlorosulfonylethylsulfamoyl)carbamate
CID 114467593
3-(propan-2-yloxycarbonylsulfamoylamino)hexanoic acid
CID 114462997

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(ethoxysulfamoyl)carbamate?
The IUPAC name of propan-2-yl N-(ethoxysulfamoyl)carbamate (CID 114463121) is propan-2-yl N-(ethoxysulfamoyl)carbamate.
What is the SMILES notation for propan-2-yl N-(ethoxysulfamoyl)carbamate?
The canonical SMILES for propan-2-yl N-(ethoxysulfamoyl)carbamate is CCONS(=O)(=O)NC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-(ethoxysulfamoyl)carbamate?
The InChIKey is BNSJDROSRGIMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O5S/c1-4-12-8-14(10,11)7-6(9)13-5(2)3/h5,8H,4H2,1-3H3,(H,7,9).
What are the key properties of propan-2-yl N-(ethoxysulfamoyl)carbamate?
propan-2-yl N-(ethoxysulfamoyl)carbamate has a molecular weight of 226.25 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(ethoxysulfamoyl)carbamate is sourced from PubChem (CID 114463121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).