methyl N-(3-amino-3-propan-2-ylazetidin-1-yl)sulfonylcarbamate

C8H17N3O4S — CID 114467044

IUPACmethyl N-(3-amino-3-propan-2-ylazetidin-1-yl)sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)N1CC(N)(C(C)C)C1
InChIInChI=1S/C8H17N3O4S/c1-6(2)8(9)4-11(5-8)16(13,14)10-7(12)15-3/h6H,4-5,9H2,1-3H3,(H,10,12)
InChIKeyWQZKCSFIIXRSMT-UHFFFAOYSA-N
MW251.31 g/mol
LogP-0.74
Rot. Bonds3

About methyl N-(3-amino-3-propan-2-ylazetidin-1-yl)sulfonylcarbamate

methyl N-(3-amino-3-propan-2-ylazetidin-1-yl)sulfonylcarbamate (PubChem CID 114467044) has the molecular formula C8H17N3O4S and a molecular weight of 251.31 g/mol. Its IUPAC name is methyl N-(3-amino-3-propan-2-ylazetidin-1-yl)sulfonylcarbamate.

Molecular Properties

Compound Namemethyl N-(3-amino-3-propan-2-ylazetidin-1-yl)sulfonylcarbamate
PubChem CID114467044
Molecular FormulaC8H17N3O4S
Molecular Weight251.31 g/mol
Exact Mass251.09
IUPAC Namemethyl N-(3-amino-3-propan-2-ylazetidin-1-yl)sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)N1CC(N)(C(C)C)C1
InChIInChI=1S/C8H17N3O4S/c1-6(2)8(9)4-11(5-8)16(13,14)10-7(12)15-3/h6H,4-5,9H2,1-3H3,(H,10,12)
InChIKeyWQZKCSFIIXRSMT-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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Related Compounds

methyl N-(3-amino-3-cyclopropylazetidin-1-yl)sulfonylcarbamate
CID 114467046
3-amino-N-(2-methoxyethyl)-3-propan-2-ylazetidine-1-sulfonamide
CID 114816760
methyl N-(4,4-difluoropiperidin-1-yl)sulfonylcarbamate
CID 168931490
3-amino-3-propan-2-yl-N-propylazetidine-1-sulfonamide
CID 114812862
1-(methoxycarbonylsulfamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 114462622
3-amino-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 107324102
methyl N-(4-chloropiperidin-1-yl)sulfonylcarbamate
CID 114466190
1-(methoxycarbonylsulfamoyl)azetidine-3-carboxylic acid
CID 114462717
methyl N-[[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]sulfonyl]carbamate
CID 114461198
propan-2-yl N-(3-aminoazetidin-1-yl)sulfonylcarbamate
CID 114464921
methyl N-(4-carbamimidoyl-4-methylpiperidin-1-yl)sulfonylcarbamate
CID 107162799
methyl N-[4-(4-aminobutyl)piperazin-1-yl]sulfonylcarbamate
CID 114461191

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-amino-3-propan-2-ylazetidin-1-yl)sulfonylcarbamate?
The IUPAC name of methyl N-(3-amino-3-propan-2-ylazetidin-1-yl)sulfonylcarbamate (CID 114467044) is methyl N-(3-amino-3-propan-2-ylazetidin-1-yl)sulfonylcarbamate.
What is the SMILES notation for methyl N-(3-amino-3-propan-2-ylazetidin-1-yl)sulfonylcarbamate?
The canonical SMILES for methyl N-(3-amino-3-propan-2-ylazetidin-1-yl)sulfonylcarbamate is COC(=O)NS(=O)(=O)N1CC(N)(C(C)C)C1.
What is the InChIKey of methyl N-(3-amino-3-propan-2-ylazetidin-1-yl)sulfonylcarbamate?
The InChIKey is WQZKCSFIIXRSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O4S/c1-6(2)8(9)4-11(5-8)16(13,14)10-7(12)15-3/h6H,4-5,9H2,1-3H3,(H,10,12).
What are the key properties of methyl N-(3-amino-3-propan-2-ylazetidin-1-yl)sulfonylcarbamate?
methyl N-(3-amino-3-propan-2-ylazetidin-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 methyl N-(3-amino-3-propan-2-ylazetidin-1-yl)sulfonylcarbamate is sourced from PubChem (CID 114467044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).