methyl N-(3-amino-3-cyclopropylazetidin-1-yl)sulfonylcarbamate

C8H15N3O4S — CID 114467046

IUPACmethyl N-(3-amino-3-cyclopropylazetidin-1-yl)sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)N1CC(N)(C2CC2)C1
InChIInChI=1S/C8H15N3O4S/c1-15-7(12)10-16(13,14)11-4-8(9,5-11)6-2-3-6/h6H,2-5,9H2,1H3,(H,10,12)
InChIKeyDVNLIGAMALZHPF-UHFFFAOYSA-N
MW249.29 g/mol
LogP-0.99
Rot. Bonds3

About methyl N-(3-amino-3-cyclopropylazetidin-1-yl)sulfonylcarbamate

methyl N-(3-amino-3-cyclopropylazetidin-1-yl)sulfonylcarbamate (PubChem CID 114467046) has the molecular formula C8H15N3O4S and a molecular weight of 249.29 g/mol. Its IUPAC name is methyl N-(3-amino-3-cyclopropylazetidin-1-yl)sulfonylcarbamate.

Molecular Properties

Compound Namemethyl N-(3-amino-3-cyclopropylazetidin-1-yl)sulfonylcarbamate
PubChem CID114467046
Molecular FormulaC8H15N3O4S
Molecular Weight249.29 g/mol
Exact Mass249.08
IUPAC Namemethyl N-(3-amino-3-cyclopropylazetidin-1-yl)sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)N1CC(N)(C2CC2)C1
InChIInChI=1S/C8H15N3O4S/c1-15-7(12)10-16(13,14)11-4-8(9,5-11)6-2-3-6/h6H,2-5,9H2,1H3,(H,10,12)
InChIKeyDVNLIGAMALZHPF-UHFFFAOYSA-N
XLogP-0.99
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-(3-amino-3-propan-2-ylazetidin-1-yl)sulfonylcarbamate
CID 114467044
methyl N-(4-chloropiperidin-1-yl)sulfonylcarbamate
CID 114466190
1-(methoxycarbonylsulfamoyl)azetidine-3-carboxylic acid
CID 114462717
methyl N-(3-bromopyrrolidin-1-yl)sulfonylcarbamate
CID 114466527
methyl N-(4,4-difluoropiperidin-1-yl)sulfonylcarbamate
CID 168931490
methyl N-(4-cyanopiperidin-1-yl)sulfonylcarbamate
CID 114463451
methyl N-(3-bromopiperidin-1-yl)sulfonylcarbamate
CID 114466569
1-(methoxycarbonylsulfamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 114462622
methyl N-(4-carbamimidoyl-4-methylpiperidin-1-yl)sulfonylcarbamate
CID 107162799
methyl (3S)-1-(methoxycarbonylsulfamoyl)piperidine-3-carboxylate
CID 104929271
methyl N-[2-(bromomethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 114466523
1-(methoxycarbonylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114462674

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-amino-3-cyclopropylazetidin-1-yl)sulfonylcarbamate?
The IUPAC name of methyl N-(3-amino-3-cyclopropylazetidin-1-yl)sulfonylcarbamate (CID 114467046) is methyl N-(3-amino-3-cyclopropylazetidin-1-yl)sulfonylcarbamate.
What is the SMILES notation for methyl N-(3-amino-3-cyclopropylazetidin-1-yl)sulfonylcarbamate?
The canonical SMILES for methyl N-(3-amino-3-cyclopropylazetidin-1-yl)sulfonylcarbamate is COC(=O)NS(=O)(=O)N1CC(N)(C2CC2)C1.
What is the InChIKey of methyl N-(3-amino-3-cyclopropylazetidin-1-yl)sulfonylcarbamate?
The InChIKey is DVNLIGAMALZHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4S/c1-15-7(12)10-16(13,14)11-4-8(9,5-11)6-2-3-6/h6H,2-5,9H2,1H3,(H,10,12).
What are the key properties of methyl N-(3-amino-3-cyclopropylazetidin-1-yl)sulfonylcarbamate?
methyl N-(3-amino-3-cyclopropylazetidin-1-yl)sulfonylcarbamate has a molecular weight of 249.29 g/mol, XLogP of -0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-amino-3-cyclopropylazetidin-1-yl)sulfonylcarbamate is sourced from PubChem (CID 114467046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).