methyl N-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylcarbamate

C11H21N3O4S — CID 114464672

IUPACmethyl N-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C11H21N3O4S/c1-18-11(15)13-19(16,17)14-7-3-4-9(8-14)10-5-2-6-12-10/h9-10,12H,2-8H2,1H3,(H,13,15)
InChIKeyXWNPMCMDXGAKDD-UHFFFAOYSA-N
MW291.37 g/mol
LogP0.05
Rot. Bonds3

About methyl N-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylcarbamate

methyl N-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylcarbamate (PubChem CID 114464672) has the molecular formula C11H21N3O4S and a molecular weight of 291.37 g/mol. Its IUPAC name is methyl N-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylcarbamate.

Molecular Properties

Compound Namemethyl N-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylcarbamate
PubChem CID114464672
Molecular FormulaC11H21N3O4S
Molecular Weight291.37 g/mol
Exact Mass291.13
IUPAC Namemethyl N-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C11H21N3O4S/c1-18-11(15)13-19(16,17)14-7-3-4-9(8-14)10-5-2-6-12-10/h9-10,12H,2-8H2,1H3,(H,13,15)
InChIKeyXWNPMCMDXGAKDD-UHFFFAOYSA-N
XLogP0.05
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl N-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylcarbamate
CID 114464671
N-methyl-3-pyrrolidin-2-ylpiperidine-1-sulfonamide
CID 114810564
methyl N-(3-bromopiperidin-1-yl)sulfonylcarbamate
CID 114466569
methyl (3S)-1-(methoxycarbonylsulfamoyl)piperidine-3-carboxylate
CID 104929271
methyl N-(3-formylpiperidin-1-yl)sulfonylcarbamate
CID 114467155
methyl N-(3-bromopyrrolidin-1-yl)sulfonylcarbamate
CID 114466527
methyl 2-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]sulfonyl]acetate
CID 102681077
methyl 2-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate
CID 63259471
methyl 1,2,3,4,4a,5,6,8,9,9a-decahydropyrido[2,3-d]azepine-7-carboxylate
CID 83848939
2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetic acid
CID 60978434
methyl 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)propanoate
CID 102680932
1-(3,3-dimethylbutylsulfonyl)-3-pyrrolidin-2-ylpiperidine
CID 103832257

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylcarbamate?
The IUPAC name of methyl N-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylcarbamate (CID 114464672) is methyl N-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylcarbamate.
What is the SMILES notation for methyl N-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylcarbamate?
The canonical SMILES for methyl N-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylcarbamate is COC(=O)NS(=O)(=O)N1CCCC(C2CCCN2)C1.
What is the InChIKey of methyl N-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylcarbamate?
The InChIKey is XWNPMCMDXGAKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4S/c1-18-11(15)13-19(16,17)14-7-3-4-9(8-14)10-5-2-6-12-10/h9-10,12H,2-8H2,1H3,(H,13,15).
What are the key properties of methyl N-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylcarbamate?
methyl N-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylcarbamate has a molecular weight of 291.37 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylcarbamate is sourced from PubChem (CID 114464672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).