1-(diethylsulfamoyl)-N-propan-2-ylpiperidine-3-carboxamide

C13H27N3O3S — CID 4136541

IUPAC1-(diethylsulfamoyl)-N-propan-2-ylpiperidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)N1CCCC(C(=O)NC(C)C)C1
InChIInChI=1S/C13H27N3O3S/c1-5-15(6-2)20(18,19)16-9-7-8-12(10-16)13(17)14-11(3)4/h11-12H,5-10H2,1-4H3,(H,14,17)
InChIKeySZCDUCQSJBLYDF-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.81
Rot. Bonds6

About 1-(diethylsulfamoyl)-N-propan-2-ylpiperidine-3-carboxamide

1-(diethylsulfamoyl)-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 4136541) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is 1-(diethylsulfamoyl)-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(diethylsulfamoyl)-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID4136541
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC Name1-(diethylsulfamoyl)-N-propan-2-ylpiperidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)N1CCCC(C(=O)NC(C)C)C1
InChIInChI=1S/C13H27N3O3S/c1-5-15(6-2)20(18,19)16-9-7-8-12(10-16)13(17)14-11(3)4/h11-12H,5-10H2,1-4H3,(H,14,17)
InChIKeySZCDUCQSJBLYDF-UHFFFAOYSA-N
XLogP0.81
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(diethylsulfamoyl)-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(diethylsulfamoyl)-N-propan-2-ylpiperidine-3-carboxamide (CID 4136541) is 1-(diethylsulfamoyl)-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(diethylsulfamoyl)-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(diethylsulfamoyl)-N-propan-2-ylpiperidine-3-carboxamide is CCN(CC)S(=O)(=O)N1CCCC(C(=O)NC(C)C)C1.
What is the InChIKey of 1-(diethylsulfamoyl)-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is SZCDUCQSJBLYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-5-15(6-2)20(18,19)16-9-7-8-12(10-16)13(17)14-11(3)4/h11-12H,5-10H2,1-4H3,(H,14,17).
What are the key properties of 1-(diethylsulfamoyl)-N-propan-2-ylpiperidine-3-carboxamide?
1-(diethylsulfamoyl)-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 305.44 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylsulfamoyl)-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 4136541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).