ethyl N-(3-amino-4-methylpyrrolidin-1-yl)sulfonylcarbamate

C8H17N3O4S — CID 103576357

IUPACethyl N-(3-amino-4-methylpyrrolidin-1-yl)sulfonylcarbamate
SMILESCCOC(=O)NS(=O)(=O)N1CC(C)C(N)C1
InChIInChI=1S/C8H17N3O4S/c1-3-15-8(12)10-16(13,14)11-4-6(2)7(9)5-11/h6-7H,3-5,9H2,1-2H3,(H,10,12)
InChIKeyZGDWFOWBMCKSCT-UHFFFAOYSA-N
MW251.31 g/mol
LogP-0.74
Rot. Bonds3

About ethyl N-(3-amino-4-methylpyrrolidin-1-yl)sulfonylcarbamate

ethyl N-(3-amino-4-methylpyrrolidin-1-yl)sulfonylcarbamate (PubChem CID 103576357) has the molecular formula C8H17N3O4S and a molecular weight of 251.31 g/mol. Its IUPAC name is ethyl N-(3-amino-4-methylpyrrolidin-1-yl)sulfonylcarbamate.

Molecular Properties

Compound Nameethyl N-(3-amino-4-methylpyrrolidin-1-yl)sulfonylcarbamate
PubChem CID103576357
Molecular FormulaC8H17N3O4S
Molecular Weight251.31 g/mol
Exact Mass251.09
IUPAC Nameethyl N-(3-amino-4-methylpyrrolidin-1-yl)sulfonylcarbamate
SMILESCCOC(=O)NS(=O)(=O)N1CC(C)C(N)C1
InChIInChI=1S/C8H17N3O4S/c1-3-15-8(12)10-16(13,14)11-4-6(2)7(9)5-11/h6-7H,3-5,9H2,1-2H3,(H,10,12)
InChIKeyZGDWFOWBMCKSCT-UHFFFAOYSA-N
XLogP-0.74
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-amino-4-methylpyrrolidin-1-yl)sulfonylcarbamate?
The IUPAC name of ethyl N-(3-amino-4-methylpyrrolidin-1-yl)sulfonylcarbamate (CID 103576357) is ethyl N-(3-amino-4-methylpyrrolidin-1-yl)sulfonylcarbamate.
What is the SMILES notation for ethyl N-(3-amino-4-methylpyrrolidin-1-yl)sulfonylcarbamate?
The canonical SMILES for ethyl N-(3-amino-4-methylpyrrolidin-1-yl)sulfonylcarbamate is CCOC(=O)NS(=O)(=O)N1CC(C)C(N)C1.
What is the InChIKey of ethyl N-(3-amino-4-methylpyrrolidin-1-yl)sulfonylcarbamate?
The InChIKey is ZGDWFOWBMCKSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O4S/c1-3-15-8(12)10-16(13,14)11-4-6(2)7(9)5-11/h6-7H,3-5,9H2,1-2H3,(H,10,12).
What are the key properties of ethyl N-(3-amino-4-methylpyrrolidin-1-yl)sulfonylcarbamate?
ethyl N-(3-amino-4-methylpyrrolidin-1-yl)sulfonylcarbamate has a molecular weight of 251.31 g/mol, XLogP of -0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-amino-4-methylpyrrolidin-1-yl)sulfonylcarbamate is sourced from PubChem (CID 103576357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).