1-[bis(2-methylpropyl)sulfamoyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C20H34N4O3S — CID 3242439

IUPAC1-[bis(2-methylpropyl)sulfamoyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C20H34N4O3S/c1-16(2)14-24(15-17(3)4)28(26,27)23-11-8-18(9-12-23)20(25)22-13-19-7-5-6-10-21-19/h5-7,10,16-18H,8-9,11-15H2,1-4H3,(H,22,25)
InChIKeyVBAJJJBTGDLLRF-UHFFFAOYSA-N
MW410.58 g/mol
LogP2.27
Rot. Bonds9

About 1-[bis(2-methylpropyl)sulfamoyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

1-[bis(2-methylpropyl)sulfamoyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 3242439) has the molecular formula C20H34N4O3S and a molecular weight of 410.58 g/mol. Its IUPAC name is 1-[bis(2-methylpropyl)sulfamoyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[bis(2-methylpropyl)sulfamoyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID3242439
Molecular FormulaC20H34N4O3S
Molecular Weight410.58 g/mol
Exact Mass410.24
IUPAC Name1-[bis(2-methylpropyl)sulfamoyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C20H34N4O3S/c1-16(2)14-24(15-17(3)4)28(26,27)23-11-8-18(9-12-23)20(25)22-13-19-7-5-6-10-21-19/h5-7,10,16-18H,8-9,11-15H2,1-4H3,(H,22,25)
InChIKeyVBAJJJBTGDLLRF-UHFFFAOYSA-N
XLogP2.27
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-methylpropyl)sulfamoyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[bis(2-methylpropyl)sulfamoyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 3242439) is 1-[bis(2-methylpropyl)sulfamoyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[bis(2-methylpropyl)sulfamoyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[bis(2-methylpropyl)sulfamoyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NCc2ccccn2)CC1.
What is the InChIKey of 1-[bis(2-methylpropyl)sulfamoyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is VBAJJJBTGDLLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3S/c1-16(2)14-24(15-17(3)4)28(26,27)23-11-8-18(9-12-23)20(25)22-13-19-7-5-6-10-21-19/h5-7,10,16-18H,8-9,11-15H2,1-4H3,(H,22,25).
What are the key properties of 1-[bis(2-methylpropyl)sulfamoyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
1-[bis(2-methylpropyl)sulfamoyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 410.58 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-methylpropyl)sulfamoyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 3242439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).