ethyl N-[(3-methylpyrrolidin-3-yl)sulfamoyl]carbamate

C8H17N3O4S — CID 107423314

IUPACethyl N-[(3-methylpyrrolidin-3-yl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NC1(C)CCNC1
InChIInChI=1S/C8H17N3O4S/c1-3-15-7(12)10-16(13,14)11-8(2)4-5-9-6-8/h9,11H,3-6H2,1-2H3,(H,10,12)
InChIKeyADPPWHLJLGKCMR-UHFFFAOYSA-N
MW251.31 g/mol
LogP-0.68
Rot. Bonds4

About ethyl N-[(3-methylpyrrolidin-3-yl)sulfamoyl]carbamate

ethyl N-[(3-methylpyrrolidin-3-yl)sulfamoyl]carbamate (PubChem CID 107423314) has the molecular formula C8H17N3O4S and a molecular weight of 251.31 g/mol. Its IUPAC name is ethyl N-[(3-methylpyrrolidin-3-yl)sulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3-methylpyrrolidin-3-yl)sulfamoyl]carbamate
PubChem CID107423314
Molecular FormulaC8H17N3O4S
Molecular Weight251.31 g/mol
Exact Mass251.09
IUPAC Nameethyl N-[(3-methylpyrrolidin-3-yl)sulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NC1(C)CCNC1
InChIInChI=1S/C8H17N3O4S/c1-3-15-7(12)10-16(13,14)11-8(2)4-5-9-6-8/h9,11H,3-6H2,1-2H3,(H,10,12)
InChIKeyADPPWHLJLGKCMR-UHFFFAOYSA-N
XLogP-0.68
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
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

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Related Compounds

ethylN-[(3-amino-3-methylpyrrolidin-1-yl)sulfonyl]carbamatehydrochloride
CID 165683431
tert-butyl N-[(3S)-1-[butyl(methyl)sulfamoyl]pyrrolidin-3-yl]carbamate
CID 96017874
tert-Butyl [(3S)-1-(aminosulfonyl)pyrrolidin-3-yl]carbamate
CID 53628401
tert-Butyl [(3R)-1-(aminosulfonyl)pyrrolidin-3-yl]carbamate
CID 53628403
tert-Butyl (1-sulfamoylpyrrolidin-3-yl)carbamate
CID 57434349
butyl N-(3-methylpyrrolidin-3-yl)carbamate
CID 70984569
Butyl[(3S)-1-(aminosulfonyl)pyrrolidin-3-yl]carbamate
CID 131729953
butyl N-[(3S)-3-methylpyrrolidin-3-yl]carbamate
CID 151419208
[(2S)-butan-2-yl] N-(3-methylpyrrolidin-3-yl)carbamate
CID 152055907
tert-butyl N-[1-[butyl(methyl)sulfamoyl]pyrrolidin-3-yl]carbamate
CID 72139321
tert-butyl N-[(3R)-1-[butyl(methyl)sulfamoyl]pyrrolidin-3-yl]carbamate
CID 100844977
ethyl N-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylcarbamate
CID 102783716

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3-methylpyrrolidin-3-yl)sulfamoyl]carbamate?
The IUPAC name of ethyl N-[(3-methylpyrrolidin-3-yl)sulfamoyl]carbamate (CID 107423314) is ethyl N-[(3-methylpyrrolidin-3-yl)sulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[(3-methylpyrrolidin-3-yl)sulfamoyl]carbamate?
The canonical SMILES for ethyl N-[(3-methylpyrrolidin-3-yl)sulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)NC1(C)CCNC1.
What is the InChIKey of ethyl N-[(3-methylpyrrolidin-3-yl)sulfamoyl]carbamate?
The InChIKey is ADPPWHLJLGKCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O4S/c1-3-15-7(12)10-16(13,14)11-8(2)4-5-9-6-8/h9,11H,3-6H2,1-2H3,(H,10,12).
What are the key properties of ethyl N-[(3-methylpyrrolidin-3-yl)sulfamoyl]carbamate?
ethyl N-[(3-methylpyrrolidin-3-yl)sulfamoyl]carbamate has a molecular weight of 251.31 g/mol, XLogP of -0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3-methylpyrrolidin-3-yl)sulfamoyl]carbamate is sourced from PubChem (CID 107423314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).