methyl N-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylcarbamate

C8H17N3O4S — CID 114465274

IUPACmethyl N-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylcarbamate
SMILESCNCC1CCCN1S(=O)(=O)NC(=O)OC
InChIInChI=1S/C8H17N3O4S/c1-9-6-7-4-3-5-11(7)16(13,14)10-8(12)15-2/h7,9H,3-6H2,1-2H3,(H,10,12)
InChIKeyZZSYBWZLXHVZDN-UHFFFAOYSA-N
MW251.31 g/mol
LogP-0.73
Rot. Bonds4

About methyl N-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylcarbamate

methyl N-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylcarbamate (PubChem CID 114465274) has the molecular formula C8H17N3O4S and a molecular weight of 251.31 g/mol. Its IUPAC name is methyl N-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylcarbamate.

Molecular Properties

Compound Namemethyl N-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylcarbamate
PubChem CID114465274
Molecular FormulaC8H17N3O4S
Molecular Weight251.31 g/mol
Exact Mass251.09
IUPAC Namemethyl N-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylcarbamate
SMILESCNCC1CCCN1S(=O)(=O)NC(=O)OC
InChIInChI=1S/C8H17N3O4S/c1-9-6-7-4-3-5-11(7)16(13,14)10-8(12)15-2/h7,9H,3-6H2,1-2H3,(H,10,12)
InChIKeyZZSYBWZLXHVZDN-UHFFFAOYSA-N
XLogP-0.73
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[2-(bromomethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 114466523
methyl N-[2-(2-hydroxypropyl)azepan-1-yl]sulfonylcarbamate
CID 114464433
propan-2-yl N-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 114464141
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylcarbamic acid
CID 68551134
1-[1-(3-methoxypropylsulfonyl)pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119991078
3-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylpropanoic acid
CID 115316475
2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide
CID 106075380
tert-butyl (2R)-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylate
CID 104929274
propan-2-yl N-[2-(2-aminoethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 112747937
4-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbutanoic acid
CID 113285289
methyl 2-[1-(propan-2-yloxycarbonylsulfamoyl)piperidin-2-yl]acetate
CID 114465457
ethyl N-[2-(chloromethyl)piperidin-1-yl]sulfonylcarbamate
CID 114466212

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylcarbamate?
The IUPAC name of methyl N-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylcarbamate (CID 114465274) is methyl N-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylcarbamate.
What is the SMILES notation for methyl N-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylcarbamate?
The canonical SMILES for methyl N-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylcarbamate is CNCC1CCCN1S(=O)(=O)NC(=O)OC.
What is the InChIKey of methyl N-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylcarbamate?
The InChIKey is ZZSYBWZLXHVZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O4S/c1-9-6-7-4-3-5-11(7)16(13,14)10-8(12)15-2/h7,9H,3-6H2,1-2H3,(H,10,12).
What are the key properties of methyl N-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylcarbamate?
methyl N-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylcarbamate has a molecular weight of 251.31 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylcarbamate is sourced from PubChem (CID 114465274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).