propan-2-yl N-(3-amino-4-methylpyrrolidin-1-yl)sulfonylcarbamate

C9H19N3O4S — CID 103576513

IUPACpropan-2-yl N-(3-amino-4-methylpyrrolidin-1-yl)sulfonylcarbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N1CC(C)C(N)C1
InChIInChI=1S/C9H19N3O4S/c1-6(2)16-9(13)11-17(14,15)12-4-7(3)8(10)5-12/h6-8H,4-5,10H2,1-3H3,(H,11,13)
InChIKeyAZTRCEHGLLXVPN-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.36
Rot. Bonds3

About propan-2-yl N-(3-amino-4-methylpyrrolidin-1-yl)sulfonylcarbamate

propan-2-yl N-(3-amino-4-methylpyrrolidin-1-yl)sulfonylcarbamate (PubChem CID 103576513) has the molecular formula C9H19N3O4S and a molecular weight of 265.33 g/mol. Its IUPAC name is propan-2-yl N-(3-amino-4-methylpyrrolidin-1-yl)sulfonylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-(3-amino-4-methylpyrrolidin-1-yl)sulfonylcarbamate
PubChem CID103576513
Molecular FormulaC9H19N3O4S
Molecular Weight265.33 g/mol
Exact Mass265.11
IUPAC Namepropan-2-yl N-(3-amino-4-methylpyrrolidin-1-yl)sulfonylcarbamate
SMILESCC(C)OC(=O)NS(=O)(=O)N1CC(C)C(N)C1
InChIInChI=1S/C9H19N3O4S/c1-6(2)16-9(13)11-17(14,15)12-4-7(3)8(10)5-12/h6-8H,4-5,10H2,1-3H3,(H,11,13)
InChIKeyAZTRCEHGLLXVPN-UHFFFAOYSA-N
XLogP-0.36
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(3-amino-4-methylpyrrolidin-1-yl)sulfonylcarbamate?
The IUPAC name of propan-2-yl N-(3-amino-4-methylpyrrolidin-1-yl)sulfonylcarbamate (CID 103576513) is propan-2-yl N-(3-amino-4-methylpyrrolidin-1-yl)sulfonylcarbamate.
What is the SMILES notation for propan-2-yl N-(3-amino-4-methylpyrrolidin-1-yl)sulfonylcarbamate?
The canonical SMILES for propan-2-yl N-(3-amino-4-methylpyrrolidin-1-yl)sulfonylcarbamate is CC(C)OC(=O)NS(=O)(=O)N1CC(C)C(N)C1.
What is the InChIKey of propan-2-yl N-(3-amino-4-methylpyrrolidin-1-yl)sulfonylcarbamate?
The InChIKey is AZTRCEHGLLXVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O4S/c1-6(2)16-9(13)11-17(14,15)12-4-7(3)8(10)5-12/h6-8H,4-5,10H2,1-3H3,(H,11,13).
What are the key properties of propan-2-yl N-(3-amino-4-methylpyrrolidin-1-yl)sulfonylcarbamate?
propan-2-yl N-(3-amino-4-methylpyrrolidin-1-yl)sulfonylcarbamate has a molecular weight of 265.33 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(3-amino-4-methylpyrrolidin-1-yl)sulfonylcarbamate is sourced from PubChem (CID 103576513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).