methyl N-(3-formylpiperidin-1-yl)sulfonylcarbamate

C8H14N2O5S — CID 114467155

IUPACmethyl N-(3-formylpiperidin-1-yl)sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)N1CCCC(C=O)C1
InChIInChI=1S/C8H14N2O5S/c1-15-8(12)9-16(13,14)10-4-2-3-7(5-10)6-11/h6-7H,2-5H2,1H3,(H,9,12)
InChIKeyIYVWWETUFBOAHB-UHFFFAOYSA-N
MW250.28 g/mol
LogP-0.50
Rot. Bonds3

About methyl N-(3-formylpiperidin-1-yl)sulfonylcarbamate

methyl N-(3-formylpiperidin-1-yl)sulfonylcarbamate (PubChem CID 114467155) has the molecular formula C8H14N2O5S and a molecular weight of 250.28 g/mol. Its IUPAC name is methyl N-(3-formylpiperidin-1-yl)sulfonylcarbamate.

Molecular Properties

Compound Namemethyl N-(3-formylpiperidin-1-yl)sulfonylcarbamate
PubChem CID114467155
Molecular FormulaC8H14N2O5S
Molecular Weight250.28 g/mol
Exact Mass250.06
IUPAC Namemethyl N-(3-formylpiperidin-1-yl)sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)N1CCCC(C=O)C1
InChIInChI=1S/C8H14N2O5S/c1-15-8(12)9-16(13,14)10-4-2-3-7(5-10)6-11/h6-7H,2-5H2,1H3,(H,9,12)
InChIKeyIYVWWETUFBOAHB-UHFFFAOYSA-N
XLogP-0.50
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl N-(3-bromopiperidin-1-yl)sulfonylcarbamate
CID 114466569
methyl (3S)-1-(methoxycarbonylsulfamoyl)piperidine-3-carboxylate
CID 104929271
methyl N-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylcarbamate
CID 114464672
methyl N-(3-bromopyrrolidin-1-yl)sulfonylcarbamate
CID 114466527
methyl N-(4-chloropiperidin-1-yl)sulfonylcarbamate
CID 114466190
3-formyl-N,N-dimethylpiperidine-1-sulfonamide
CID 63845899
1-(methoxycarbonylsulfamoyl)azetidine-3-carboxylic acid
CID 114462717
1-(methylsulfonylmethylsulfonyl)piperidine-3-carbaldehyde
CID 82842702
(3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid
CID 104929168
1-(2-methylpiperidin-1-yl)sulfonylpiperidine-3-carbaldehyde
CID 55258735
methyl N-(4-cyanopiperidin-1-yl)sulfonylcarbamate
CID 114463451
methyl N-[2-(bromomethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 114466523

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-formylpiperidin-1-yl)sulfonylcarbamate?
The IUPAC name of methyl N-(3-formylpiperidin-1-yl)sulfonylcarbamate (CID 114467155) is methyl N-(3-formylpiperidin-1-yl)sulfonylcarbamate.
What is the SMILES notation for methyl N-(3-formylpiperidin-1-yl)sulfonylcarbamate?
The canonical SMILES for methyl N-(3-formylpiperidin-1-yl)sulfonylcarbamate is COC(=O)NS(=O)(=O)N1CCCC(C=O)C1.
What is the InChIKey of methyl N-(3-formylpiperidin-1-yl)sulfonylcarbamate?
The InChIKey is IYVWWETUFBOAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O5S/c1-15-8(12)9-16(13,14)10-4-2-3-7(5-10)6-11/h6-7H,2-5H2,1H3,(H,9,12).
What are the key properties of methyl N-(3-formylpiperidin-1-yl)sulfonylcarbamate?
methyl N-(3-formylpiperidin-1-yl)sulfonylcarbamate has a molecular weight of 250.28 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-formylpiperidin-1-yl)sulfonylcarbamate is sourced from PubChem (CID 114467155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).