1-[bis(2-methylpropyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

C20H40N4O4S — CID 3245563

IUPAC1-[bis(2-methylpropyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C20H40N4O4S/c1-17(2)15-24(16-18(3)4)29(26,27)23-8-5-19(6-9-23)20(25)21-7-10-22-11-13-28-14-12-22/h17-19H,5-16H2,1-4H3,(H,21,25)
InChIKeyCMESMMCRWDAVDD-UHFFFAOYSA-N
MW432.63 g/mol
LogP1.01
Rot. Bonds10

About 1-[bis(2-methylpropyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

1-[bis(2-methylpropyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (PubChem CID 3245563) has the molecular formula C20H40N4O4S and a molecular weight of 432.63 g/mol. Its IUPAC name is 1-[bis(2-methylpropyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[bis(2-methylpropyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
PubChem CID3245563
Molecular FormulaC20H40N4O4S
Molecular Weight432.63 g/mol
Exact Mass432.28
IUPAC Name1-[bis(2-methylpropyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C20H40N4O4S/c1-17(2)15-24(16-18(3)4)29(26,27)23-8-5-19(6-9-23)20(25)21-7-10-22-11-13-28-14-12-22/h17-19H,5-16H2,1-4H3,(H,21,25)
InChIKeyCMESMMCRWDAVDD-UHFFFAOYSA-N
XLogP1.01
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.63
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-methylpropyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[bis(2-methylpropyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (CID 3245563) is 1-[bis(2-methylpropyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[bis(2-methylpropyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[bis(2-methylpropyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1.
What is the InChIKey of 1-[bis(2-methylpropyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The InChIKey is CMESMMCRWDAVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4O4S/c1-17(2)15-24(16-18(3)4)29(26,27)23-8-5-19(6-9-23)20(25)21-7-10-22-11-13-28-14-12-22/h17-19H,5-16H2,1-4H3,(H,21,25).
What are the key properties of 1-[bis(2-methylpropyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
1-[bis(2-methylpropyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide has a molecular weight of 432.63 g/mol, XLogP of 1.01, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-methylpropyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 3245563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).