methyl N-(4,4-difluoropiperidin-1-yl)sulfonylcarbamate

C7H12F2N2O4S — CID 168931490

IUPACmethyl N-(4,4-difluoropiperidin-1-yl)sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C7H12F2N2O4S/c1-15-6(12)10-16(13,14)11-4-2-7(8,9)3-5-11/h2-5H2,1H3,(H,10,12)
InChIKeyKSDBCBLPWWSWRK-UHFFFAOYSA-N
MW258.25 g/mol
LogP0.32
Rot. Bonds2

About methyl N-(4,4-difluoropiperidin-1-yl)sulfonylcarbamate

methyl N-(4,4-difluoropiperidin-1-yl)sulfonylcarbamate (PubChem CID 168931490) has the molecular formula C7H12F2N2O4S and a molecular weight of 258.25 g/mol. Its IUPAC name is methyl N-(4,4-difluoropiperidin-1-yl)sulfonylcarbamate.

Molecular Properties

Compound Namemethyl N-(4,4-difluoropiperidin-1-yl)sulfonylcarbamate
PubChem CID168931490
Molecular FormulaC7H12F2N2O4S
Molecular Weight258.25 g/mol
Exact Mass258.05
IUPAC Namemethyl N-(4,4-difluoropiperidin-1-yl)sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C7H12F2N2O4S/c1-15-6(12)10-16(13,14)11-4-2-7(8,9)3-5-11/h2-5H2,1H3,(H,10,12)
InChIKeyKSDBCBLPWWSWRK-UHFFFAOYSA-N
XLogP0.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(4,4-difluoropiperidin-1-yl)sulfonylcarbamate;tert-butyl N-[4-(trifluoromethyl)piperidin-1-yl]sulfonylcarbamate
CID 161023877
1-(methoxycarbonylsulfamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 114462622
methyl N-(4-chloropiperidin-1-yl)sulfonylcarbamate
CID 114466190
methyl N-(4-carbamimidoyl-4-methylpiperidin-1-yl)sulfonylcarbamate
CID 107162799
methyl N-(3-amino-3-propan-2-ylazetidin-1-yl)sulfonylcarbamate
CID 114467044
methyl N-(4-cyanopiperidin-1-yl)sulfonylcarbamate
CID 114463451
methyl N-[4-(2-chloroethyl)piperazin-1-yl]sulfonylcarbamate
CID 114466217
methyl N-[(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)sulfonyl]carbamate
CID 114464555
1-(methoxycarbonylsulfamoyl)-2-methylpiperidine-2-carboxylic acid
CID 114463047
methyl N-[4-(4-aminobutyl)piperazin-1-yl]sulfonylcarbamate
CID 114461191
methyl N-(3-bromopyrrolidin-1-yl)sulfonylcarbamate
CID 114466527
3-[[(4,4-difluoropiperidin-1-yl)sulfonylamino]methyl]-3-methoxycyclobutane-1-carboxylic acid
CID 166273636

Frequently Asked Questions

What is the IUPAC name of methyl N-(4,4-difluoropiperidin-1-yl)sulfonylcarbamate?
The IUPAC name of methyl N-(4,4-difluoropiperidin-1-yl)sulfonylcarbamate (CID 168931490) is methyl N-(4,4-difluoropiperidin-1-yl)sulfonylcarbamate.
What is the SMILES notation for methyl N-(4,4-difluoropiperidin-1-yl)sulfonylcarbamate?
The canonical SMILES for methyl N-(4,4-difluoropiperidin-1-yl)sulfonylcarbamate is COC(=O)NS(=O)(=O)N1CCC(F)(F)CC1.
What is the InChIKey of methyl N-(4,4-difluoropiperidin-1-yl)sulfonylcarbamate?
The InChIKey is KSDBCBLPWWSWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O4S/c1-15-6(12)10-16(13,14)11-4-2-7(8,9)3-5-11/h2-5H2,1H3,(H,10,12).
What are the key properties of methyl N-(4,4-difluoropiperidin-1-yl)sulfonylcarbamate?
methyl N-(4,4-difluoropiperidin-1-yl)sulfonylcarbamate has a molecular weight of 258.25 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4,4-difluoropiperidin-1-yl)sulfonylcarbamate is sourced from PubChem (CID 168931490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).