methyl 1-(2-pyrrolidin-3-ylethylsulfamoyl)piperidine-4-carboxylate

C13H25N3O4S — CID 63623626

IUPACmethyl 1-(2-pyrrolidin-3-ylethylsulfamoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)NCCC2CCNC2)CC1
InChIInChI=1S/C13H25N3O4S/c1-20-13(17)12-4-8-16(9-5-12)21(18,19)15-7-3-11-2-6-14-10-11/h11-12,14-15H,2-10H2,1H3
InChIKeyKTLVDDFLMFLVQJ-UHFFFAOYSA-N
MW319.43 g/mol
LogP-0.29
Rot. Bonds6

About methyl 1-(2-pyrrolidin-3-ylethylsulfamoyl)piperidine-4-carboxylate

methyl 1-(2-pyrrolidin-3-ylethylsulfamoyl)piperidine-4-carboxylate (PubChem CID 63623626) has the molecular formula C13H25N3O4S and a molecular weight of 319.43 g/mol. Its IUPAC name is methyl 1-(2-pyrrolidin-3-ylethylsulfamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-pyrrolidin-3-ylethylsulfamoyl)piperidine-4-carboxylate
PubChem CID63623626
Molecular FormulaC13H25N3O4S
Molecular Weight319.43 g/mol
Exact Mass319.16
IUPAC Namemethyl 1-(2-pyrrolidin-3-ylethylsulfamoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)NCCC2CCNC2)CC1
InChIInChI=1S/C13H25N3O4S/c1-20-13(17)12-4-8-16(9-5-12)21(18,19)15-7-3-11-2-6-14-10-11/h11-12,14-15H,2-10H2,1H3
InChIKeyKTLVDDFLMFLVQJ-UHFFFAOYSA-N
XLogP-0.29
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 3-(2-pyrrolidin-3-ylethylsulfamoyl)propanoate
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methyl 1-(3-piperidin-4-ylpropanoyl)piperidine-4-carboxylate
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methyl 1-[(3-hydroxycyclopentyl)methylsulfamoyl]piperidine-4-carboxylate
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1-(2-cyclopentylethylsulfamoyl)piperidine-4-carboxylic acid
CID 60920685
methyl 1-[(2-amino-3-hydroxybutyl)sulfamoyl]piperidine-4-carboxylate
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ethyl 1-(2-hydroxyethylsulfamoyl)piperidine-4-carboxylate
CID 43502025
methyl 1-[(1-aminocyclobutyl)methylsulfamoyl]piperidine-4-carboxylate
CID 103352831
N-(2-pyrrolidin-3-ylethyl)propane-2-sulfonamide
CID 63624529
3-[2-[[ethyl(methyl)sulfamoyl]amino]ethyl]pyrrolidine
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methyl 1-(2-piperidin-3-ylacetyl)piperidine-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-pyrrolidin-3-ylethylsulfamoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-pyrrolidin-3-ylethylsulfamoyl)piperidine-4-carboxylate (CID 63623626) is methyl 1-(2-pyrrolidin-3-ylethylsulfamoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-pyrrolidin-3-ylethylsulfamoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-pyrrolidin-3-ylethylsulfamoyl)piperidine-4-carboxylate is COC(=O)C1CCN(S(=O)(=O)NCCC2CCNC2)CC1.
What is the InChIKey of methyl 1-(2-pyrrolidin-3-ylethylsulfamoyl)piperidine-4-carboxylate?
The InChIKey is KTLVDDFLMFLVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4S/c1-20-13(17)12-4-8-16(9-5-12)21(18,19)15-7-3-11-2-6-14-10-11/h11-12,14-15H,2-10H2,1H3.
What are the key properties of methyl 1-(2-pyrrolidin-3-ylethylsulfamoyl)piperidine-4-carboxylate?
methyl 1-(2-pyrrolidin-3-ylethylsulfamoyl)piperidine-4-carboxylate has a molecular weight of 319.43 g/mol, XLogP of -0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-pyrrolidin-3-ylethylsulfamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 63623626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).