ethyl N-(3-aminopentylsulfamoyl)carbamate

C8H19N3O4S — CID 114467103

IUPACethyl N-(3-aminopentylsulfamoyl)carbamate
SMILESCCOC(=O)NS(=O)(=O)NCCC(N)CC
InChIInChI=1S/C8H19N3O4S/c1-3-7(9)5-6-10-16(13,14)11-8(12)15-4-2/h7,10H,3-6,9H2,1-2H3,(H,11,12)
InChIKeyRKZOXIGMPUURLF-UHFFFAOYSA-N
MW253.32 g/mol
LogP-0.31
Rot. Bonds7

About ethyl N-(3-aminopentylsulfamoyl)carbamate

ethyl N-(3-aminopentylsulfamoyl)carbamate (PubChem CID 114467103) has the molecular formula C8H19N3O4S and a molecular weight of 253.32 g/mol. Its IUPAC name is ethyl N-(3-aminopentylsulfamoyl)carbamate.

Molecular Properties

Compound Nameethyl N-(3-aminopentylsulfamoyl)carbamate
PubChem CID114467103
Molecular FormulaC8H19N3O4S
Molecular Weight253.32 g/mol
Exact Mass253.11
IUPAC Nameethyl N-(3-aminopentylsulfamoyl)carbamate
SMILESCCOC(=O)NS(=O)(=O)NCCC(N)CC
InChIInChI=1S/C8H19N3O4S/c1-3-7(9)5-6-10-16(13,14)11-8(12)15-4-2/h7,10H,3-6,9H2,1-2H3,(H,11,12)
InChIKeyRKZOXIGMPUURLF-UHFFFAOYSA-N
XLogP-0.31
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-(propylsulfamoyl)carbamate
CID 114463072
ethyl N-(2-chloroethylsulfamoyl)carbamate
CID 114464062
ethyl N-[(2-amino-3-ethylpentyl)sulfamoyl]carbamate
CID 106286779
ethyl N-[(4-amino-2-methylbutyl)sulfamoyl]carbamate
CID 114467054
ethyl N-(1-aminopentan-3-ylsulfamoyl)carbamate
CID 114461389
ethyl N-(6-bromohexylsulfamoyl)carbamate
CID 107848893
ethyl N-(5-chloropentylsulfamoyl)carbamate
CID 107322727
ethyl N-[2-(cyclopropylamino)ethylsulfamoyl]carbamate
CID 114464719
methyl 3-(ethoxycarbonylsulfamoylamino)-2-iodopropanoate
CID 103493615
ethyl N-[2-(4-aminophenoxy)ethylsulfamoyl]carbamate
CID 114461663
ethyl N-[[2-ethyl-2-(hydroxymethyl)butyl]sulfamoyl]carbamate
CID 106253368
ethyl N-[[2-methyl-3-(methylamino)propyl]sulfamoyl]carbamate
CID 114465211

Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-aminopentylsulfamoyl)carbamate?
The IUPAC name of ethyl N-(3-aminopentylsulfamoyl)carbamate (CID 114467103) is ethyl N-(3-aminopentylsulfamoyl)carbamate.
What is the SMILES notation for ethyl N-(3-aminopentylsulfamoyl)carbamate?
The canonical SMILES for ethyl N-(3-aminopentylsulfamoyl)carbamate is CCOC(=O)NS(=O)(=O)NCCC(N)CC.
What is the InChIKey of ethyl N-(3-aminopentylsulfamoyl)carbamate?
The InChIKey is RKZOXIGMPUURLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O4S/c1-3-7(9)5-6-10-16(13,14)11-8(12)15-4-2/h7,10H,3-6,9H2,1-2H3,(H,11,12).
What are the key properties of ethyl N-(3-aminopentylsulfamoyl)carbamate?
ethyl N-(3-aminopentylsulfamoyl)carbamate has a molecular weight of 253.32 g/mol, XLogP of -0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-aminopentylsulfamoyl)carbamate is sourced from PubChem (CID 114467103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).