1-(diethylsulfamoyl)-N-(3-methylbutyl)piperidine-3-carboxamide

C15H31N3O3S — CID 3482045

IUPAC1-(diethylsulfamoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)N1CCCC(C(=O)NCCC(C)C)C1
InChIInChI=1S/C15H31N3O3S/c1-5-17(6-2)22(20,21)18-11-7-8-14(12-18)15(19)16-10-9-13(3)4/h13-14H,5-12H2,1-4H3,(H,16,19)
InChIKeyOTMUGJUEIQSTJZ-UHFFFAOYSA-N
MW333.50 g/mol
LogP1.45
Rot. Bonds8

About 1-(diethylsulfamoyl)-N-(3-methylbutyl)piperidine-3-carboxamide

1-(diethylsulfamoyl)-N-(3-methylbutyl)piperidine-3-carboxamide (PubChem CID 3482045) has the molecular formula C15H31N3O3S and a molecular weight of 333.50 g/mol. Its IUPAC name is 1-(diethylsulfamoyl)-N-(3-methylbutyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(diethylsulfamoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
PubChem CID3482045
Molecular FormulaC15H31N3O3S
Molecular Weight333.50 g/mol
Exact Mass333.21
IUPAC Name1-(diethylsulfamoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)N1CCCC(C(=O)NCCC(C)C)C1
InChIInChI=1S/C15H31N3O3S/c1-5-17(6-2)22(20,21)18-11-7-8-14(12-18)15(19)16-10-9-13(3)4/h13-14H,5-12H2,1-4H3,(H,16,19)
InChIKeyOTMUGJUEIQSTJZ-UHFFFAOYSA-N
XLogP1.45
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(diethylsulfamoyl)-N-(3-methylbutyl)piperidine-3-carboxamide?
The IUPAC name of 1-(diethylsulfamoyl)-N-(3-methylbutyl)piperidine-3-carboxamide (CID 3482045) is 1-(diethylsulfamoyl)-N-(3-methylbutyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(diethylsulfamoyl)-N-(3-methylbutyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(diethylsulfamoyl)-N-(3-methylbutyl)piperidine-3-carboxamide is CCN(CC)S(=O)(=O)N1CCCC(C(=O)NCCC(C)C)C1.
What is the InChIKey of 1-(diethylsulfamoyl)-N-(3-methylbutyl)piperidine-3-carboxamide?
The InChIKey is OTMUGJUEIQSTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3S/c1-5-17(6-2)22(20,21)18-11-7-8-14(12-18)15(19)16-10-9-13(3)4/h13-14H,5-12H2,1-4H3,(H,16,19).
What are the key properties of 1-(diethylsulfamoyl)-N-(3-methylbutyl)piperidine-3-carboxamide?
1-(diethylsulfamoyl)-N-(3-methylbutyl)piperidine-3-carboxamide has a molecular weight of 333.50 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylsulfamoyl)-N-(3-methylbutyl)piperidine-3-carboxamide is sourced from PubChem (CID 3482045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).