ethyl N-[[2-methyl-3-(methylamino)propyl]sulfamoyl]carbamate

C8H19N3O4S — CID 114465211

IUPACethyl N-[[2-methyl-3-(methylamino)propyl]sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NCC(C)CNC
InChIInChI=1S/C8H19N3O4S/c1-4-15-8(12)11-16(13,14)10-6-7(2)5-9-3/h7,9-10H,4-6H2,1-3H3,(H,11,12)
InChIKeyQKDQFLJCJPAYFF-UHFFFAOYSA-N
MW253.32 g/mol
LogP-0.58
Rot. Bonds7

About ethyl N-[[2-methyl-3-(methylamino)propyl]sulfamoyl]carbamate

ethyl N-[[2-methyl-3-(methylamino)propyl]sulfamoyl]carbamate (PubChem CID 114465211) has the molecular formula C8H19N3O4S and a molecular weight of 253.32 g/mol. Its IUPAC name is ethyl N-[[2-methyl-3-(methylamino)propyl]sulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[2-methyl-3-(methylamino)propyl]sulfamoyl]carbamate
PubChem CID114465211
Molecular FormulaC8H19N3O4S
Molecular Weight253.32 g/mol
Exact Mass253.11
IUPAC Nameethyl N-[[2-methyl-3-(methylamino)propyl]sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NCC(C)CNC
InChIInChI=1S/C8H19N3O4S/c1-4-15-8(12)11-16(13,14)10-6-7(2)5-9-3/h7,9-10H,4-6H2,1-3H3,(H,11,12)
InChIKeyQKDQFLJCJPAYFF-UHFFFAOYSA-N
XLogP-0.58
TPSA96.53 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 ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[(4-amino-2-methylbutyl)sulfamoyl]carbamate
CID 114467054
methyl 3-(ethoxycarbonylsulfamoylamino)-2-iodopropanoate
CID 103493615
ethyl N-[(2-chloro-4-methylpentyl)sulfamoyl]carbamate
CID 107158297
ethyl N-[(2-amino-3-ethylpentyl)sulfamoyl]carbamate
CID 106286779
ethyl N-(propylsulfamoyl)carbamate
CID 114463072
ethyl (2S)-2-(2-methylpropylsulfamoylcarbamoyloxy)propanoate
CID 10518038
ethyl N-(2-chloroethylsulfamoyl)carbamate
CID 114464062
propan-2-yl N-[(3-amino-2-methylpropyl)sulfamoyl]carbamate
CID 114461386
ethyl N-[(2-hydroxy-2-phenylethyl)sulfamoyl]carbamate
CID 114464098
ethyl N-(1-bromopropan-2-ylsulfamoyl)carbamate
CID 114466677
ethyl N-(3-aminopentylsulfamoyl)carbamate
CID 114467103
methyl N-(2-aminopropylsulfamoyl)carbamate
CID 114464784

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[2-methyl-3-(methylamino)propyl]sulfamoyl]carbamate?
The IUPAC name of ethyl N-[[2-methyl-3-(methylamino)propyl]sulfamoyl]carbamate (CID 114465211) is ethyl N-[[2-methyl-3-(methylamino)propyl]sulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[[2-methyl-3-(methylamino)propyl]sulfamoyl]carbamate?
The canonical SMILES for ethyl N-[[2-methyl-3-(methylamino)propyl]sulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)NCC(C)CNC.
What is the InChIKey of ethyl N-[[2-methyl-3-(methylamino)propyl]sulfamoyl]carbamate?
The InChIKey is QKDQFLJCJPAYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O4S/c1-4-15-8(12)11-16(13,14)10-6-7(2)5-9-3/h7,9-10H,4-6H2,1-3H3,(H,11,12).
What are the key properties of ethyl N-[[2-methyl-3-(methylamino)propyl]sulfamoyl]carbamate?
ethyl N-[[2-methyl-3-(methylamino)propyl]sulfamoyl]carbamate has a molecular weight of 253.32 g/mol, XLogP of -0.58, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[2-methyl-3-(methylamino)propyl]sulfamoyl]carbamate is sourced from PubChem (CID 114465211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).