ethyl N-(propylsulfamoyl)carbamate

C6H14N2O4S — CID 114463072

IUPACethyl N-(propylsulfamoyl)carbamate
SMILESCCCNS(=O)(=O)NC(=O)OCC
InChIInChI=1S/C6H14N2O4S/c1-3-5-7-13(10,11)8-6(9)12-4-2/h7H,3-5H2,1-2H3,(H,8,9)
InChIKeyQYSRGXNVHRAKDN-UHFFFAOYSA-N
MW210.25 g/mol
LogP-0.02
Rot. Bonds5

About ethyl N-(propylsulfamoyl)carbamate

ethyl N-(propylsulfamoyl)carbamate (PubChem CID 114463072) has the molecular formula C6H14N2O4S and a molecular weight of 210.25 g/mol. Its IUPAC name is ethyl N-(propylsulfamoyl)carbamate.

Molecular Properties

Compound Nameethyl N-(propylsulfamoyl)carbamate
PubChem CID114463072
Molecular FormulaC6H14N2O4S
Molecular Weight210.25 g/mol
Exact Mass210.07
IUPAC Nameethyl N-(propylsulfamoyl)carbamate
SMILESCCCNS(=O)(=O)NC(=O)OCC
InChIInChI=1S/C6H14N2O4S/c1-3-5-7-13(10,11)8-6(9)12-4-2/h7H,3-5H2,1-2H3,(H,8,9)
InChIKeyQYSRGXNVHRAKDN-UHFFFAOYSA-N
XLogP-0.02
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-(2-chloroethylsulfamoyl)carbamate
CID 114464062
ethyl N-(5-chloropentylsulfamoyl)carbamate
CID 107322727
ethyl N-(6-bromohexylsulfamoyl)carbamate
CID 107848893
ethyl N-(3-aminopentylsulfamoyl)carbamate
CID 114467103
ethyl N-[2-(cyclopropylamino)ethylsulfamoyl]carbamate
CID 114464719
ethyl N-[2-(cycloheptylamino)ethylsulfamoyl]carbamate
CID 114465230
ethyl 2-(propylsulfamoylamino)acetate
CID 59773974
ethyl N-[(4-amino-2-methylbutyl)sulfamoyl]carbamate
CID 114467054
methyl 3-(ethoxycarbonylsulfamoylamino)-2-iodopropanoate
CID 103493615
ethyl N-[2-(4-aminophenoxy)ethylsulfamoyl]carbamate
CID 114461663
ethyl N-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]carbamate
CID 106184660
ethyl N-[[2-methyl-3-(methylamino)propyl]sulfamoyl]carbamate
CID 114465211

Frequently Asked Questions

What is the IUPAC name of ethyl N-(propylsulfamoyl)carbamate?
The IUPAC name of ethyl N-(propylsulfamoyl)carbamate (CID 114463072) is ethyl N-(propylsulfamoyl)carbamate.
What is the SMILES notation for ethyl N-(propylsulfamoyl)carbamate?
The canonical SMILES for ethyl N-(propylsulfamoyl)carbamate is CCCNS(=O)(=O)NC(=O)OCC.
What is the InChIKey of ethyl N-(propylsulfamoyl)carbamate?
The InChIKey is QYSRGXNVHRAKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O4S/c1-3-5-7-13(10,11)8-6(9)12-4-2/h7H,3-5H2,1-2H3,(H,8,9).
What are the key properties of ethyl N-(propylsulfamoyl)carbamate?
ethyl N-(propylsulfamoyl)carbamate has a molecular weight of 210.25 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(propylsulfamoyl)carbamate is sourced from PubChem (CID 114463072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).