methyl 1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxylate

C13H24N2O4S — CID 43423586

IUPACmethyl 1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1S(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C13H24N2O4S/c1-14(11-7-4-3-5-8-11)20(17,18)15-10-6-9-12(15)13(16)19-2/h11-12H,3-10H2,1-2H3
InChIKeyQHDHCHISQHYMCD-UHFFFAOYSA-N
MW304.41 g/mol
LogP1.13
Rot. Bonds4

About methyl 1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxylate

methyl 1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxylate (PubChem CID 43423586) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is methyl 1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxylate
PubChem CID43423586
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Namemethyl 1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1S(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C13H24N2O4S/c1-14(11-7-4-3-5-8-11)20(17,18)15-10-6-9-12(15)13(16)19-2/h11-12H,3-10H2,1-2H3
InChIKeyQHDHCHISQHYMCD-UHFFFAOYSA-N
XLogP1.13
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxamide
CID 100633794
N-cyclohexyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide
CID 61408756
N-cyclohexyl-2-cyclopentyl-N-methylpyrrolidine-1-sulfonamide
CID 71889779
(4aS,8aR)-N-cycloheptyl-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-sulfonamide
CID 100901387
N-cyclohexyl-N,2-dimethylpiperidine-1-sulfonamide
CID 128926642
methyl 1-cyclopropylsulfonylpiperidine-2-carboxylate
CID 79033025
methyl (2R)-1-pyrrolidin-1-ylsulfonylpiperidine-2-carboxylate
CID 79830606
1-[methyl(oxan-4-yl)sulfamoyl]piperidine-2-carboxylic acid
CID 60858619
methyl 1-(3,5-difluorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 43409906
methyl 1-(benzenesulfonyl)pyrrolidine-2-carboxylate
CID 610805
tert-butyl (2S)-1-(dimethylsulfamoyl)pyrrolidine-2-carboxylate
CID 81005721
methyl 1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate
CID 43423409

Frequently Asked Questions

What is the IUPAC name of methyl 1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxylate (CID 43423586) is methyl 1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1S(=O)(=O)N(C)C1CCCCC1.
What is the InChIKey of methyl 1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxylate?
The InChIKey is QHDHCHISQHYMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-14(11-7-4-3-5-8-11)20(17,18)15-10-6-9-12(15)13(16)19-2/h11-12H,3-10H2,1-2H3.
What are the key properties of methyl 1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxylate?
methyl 1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxylate has a molecular weight of 304.41 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 43423586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).