methyl 1-(2-methylpropylsulfamoyl)piperidine-2-carboxylate

C11H22N2O4S — CID 114816360

IUPACmethyl 1-(2-methylpropylsulfamoyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1S(=O)(=O)NCC(C)C
InChIInChI=1S/C11H22N2O4S/c1-9(2)8-12-18(15,16)13-7-5-4-6-10(13)11(14)17-3/h9-10,12H,4-8H2,1-3H3
InChIKeyDSBXCJHOIOCBDQ-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.50
Rot. Bonds5

About methyl 1-(2-methylpropylsulfamoyl)piperidine-2-carboxylate

methyl 1-(2-methylpropylsulfamoyl)piperidine-2-carboxylate (PubChem CID 114816360) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is methyl 1-(2-methylpropylsulfamoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methylpropylsulfamoyl)piperidine-2-carboxylate
PubChem CID114816360
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Namemethyl 1-(2-methylpropylsulfamoyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1S(=O)(=O)NCC(C)C
InChIInChI=1S/C11H22N2O4S/c1-9(2)8-12-18(15,16)13-7-5-4-6-10(13)11(14)17-3/h9-10,12H,4-8H2,1-3H3
InChIKeyDSBXCJHOIOCBDQ-UHFFFAOYSA-N
XLogP0.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 114815335
methyl (2R)-1-(3-methylbutylsulfonyl)piperidine-2-carboxylate
CID 79830883
ethyl 1-(2-hydroxypropylsulfamoyl)pyrrolidine-2-carboxylate
CID 43502369
methyl 1-cyclopropylsulfonylpiperidine-2-carboxylate
CID 79033025
methyl (2R)-1-pyrrolidin-1-ylsulfonylpiperidine-2-carboxylate
CID 79830606
1-(2,3,3-trimethylbutylsulfamoyl)piperidine-2-carboxylic acid
CID 83141758
N-(2-methylpropyl)-2-(2-oxopropyl)pyrrolidine-1-sulfonamide
CID 114815362
1-(2,2-diethoxyethylsulfamoyl)piperidine-2-carboxylic acid
CID 79538538
methyl (2R)-1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate
CID 79830884
methyl 1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate
CID 79005471
methyl 1-(2-ethoxy-2-oxoethyl)sulfonylpiperidine-2-carboxylate
CID 78953815
2-[(tert-butylamino)methyl]-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 114816832

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methylpropylsulfamoyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(2-methylpropylsulfamoyl)piperidine-2-carboxylate (CID 114816360) is methyl 1-(2-methylpropylsulfamoyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-methylpropylsulfamoyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-methylpropylsulfamoyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1S(=O)(=O)NCC(C)C.
What is the InChIKey of methyl 1-(2-methylpropylsulfamoyl)piperidine-2-carboxylate?
The InChIKey is DSBXCJHOIOCBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-9(2)8-12-18(15,16)13-7-5-4-6-10(13)11(14)17-3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of methyl 1-(2-methylpropylsulfamoyl)piperidine-2-carboxylate?
methyl 1-(2-methylpropylsulfamoyl)piperidine-2-carboxylate has a molecular weight of 278.37 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methylpropylsulfamoyl)piperidine-2-carboxylate is sourced from PubChem (CID 114816360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).