ethyl N-[2-(cyclopropylamino)ethylsulfamoyl]carbamate

C8H17N3O4S — CID 114464719

IUPACethyl N-[2-(cyclopropylamino)ethylsulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NCCNC1CC1
InChIInChI=1S/C8H17N3O4S/c1-2-15-8(12)11-16(13,14)10-6-5-9-7-3-4-7/h7,9-10H,2-6H2,1H3,(H,11,12)
InChIKeyDGSXOZRHQHSIJM-UHFFFAOYSA-N
MW251.31 g/mol
LogP-0.68
Rot. Bonds7

About ethyl N-[2-(cyclopropylamino)ethylsulfamoyl]carbamate

ethyl N-[2-(cyclopropylamino)ethylsulfamoyl]carbamate (PubChem CID 114464719) has the molecular formula C8H17N3O4S and a molecular weight of 251.31 g/mol. Its IUPAC name is ethyl N-[2-(cyclopropylamino)ethylsulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(cyclopropylamino)ethylsulfamoyl]carbamate
PubChem CID114464719
Molecular FormulaC8H17N3O4S
Molecular Weight251.31 g/mol
Exact Mass251.09
IUPAC Nameethyl N-[2-(cyclopropylamino)ethylsulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NCCNC1CC1
InChIInChI=1S/C8H17N3O4S/c1-2-15-8(12)11-16(13,14)10-6-5-9-7-3-4-7/h7,9-10H,2-6H2,1H3,(H,11,12)
InChIKeyDGSXOZRHQHSIJM-UHFFFAOYSA-N
XLogP-0.68
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[2-(cycloheptylamino)ethylsulfamoyl]carbamate
CID 114465230
ethyl N-(propylsulfamoyl)carbamate
CID 114463072
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-piperidin-3-ylethylsulfamoyl)carbamate
CID 114463242
ethyl N-[[2-(bromomethyl)cyclopentyl]methylsulfamoyl]carbamate
CID 114466703
ethyl N-[[2-(bromomethyl)cyclohexyl]methylsulfamoyl]carbamate
CID 114466708
ethyl N-[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl]carbamate
CID 106184660
ethyl N-(piperidin-3-ylmethylsulfamoyl)carbamate
CID 114463214
ethyl 4-(2-hydroxyethylamino)cyclohexane-1-carboxylate
CID 66671278

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(cyclopropylamino)ethylsulfamoyl]carbamate?
The IUPAC name of ethyl N-[2-(cyclopropylamino)ethylsulfamoyl]carbamate (CID 114464719) is ethyl N-[2-(cyclopropylamino)ethylsulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[2-(cyclopropylamino)ethylsulfamoyl]carbamate?
The canonical SMILES for ethyl N-[2-(cyclopropylamino)ethylsulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)NCCNC1CC1.
What is the InChIKey of ethyl N-[2-(cyclopropylamino)ethylsulfamoyl]carbamate?
The InChIKey is DGSXOZRHQHSIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O4S/c1-2-15-8(12)11-16(13,14)10-6-5-9-7-3-4-7/h7,9-10H,2-6H2,1H3,(H,11,12).
What are the key properties of ethyl N-[2-(cyclopropylamino)ethylsulfamoyl]carbamate?
ethyl N-[2-(cyclopropylamino)ethylsulfamoyl]carbamate has a molecular weight of 251.31 g/mol, XLogP of -0.68, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(cyclopropylamino)ethylsulfamoyl]carbamate is sourced from PubChem (CID 114464719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).