1-[bis(2-methylpropyl)sulfamoyl]-N-cycloheptylpiperidine-4-carboxamide

C21H41N3O3S — CID 3618793

IUPAC1-[bis(2-methylpropyl)sulfamoyl]-N-cycloheptylpiperidine-4-carboxamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C21H41N3O3S/c1-17(2)15-24(16-18(3)4)28(26,27)23-13-11-19(12-14-23)21(25)22-20-9-7-5-6-8-10-20/h17-20H,5-16H2,1-4H3,(H,22,25)
InChIKeyCUYSOOYUQBHLRP-UHFFFAOYSA-N
MW415.64 g/mol
LogP3.40
Rot. Bonds8

About 1-[bis(2-methylpropyl)sulfamoyl]-N-cycloheptylpiperidine-4-carboxamide

1-[bis(2-methylpropyl)sulfamoyl]-N-cycloheptylpiperidine-4-carboxamide (PubChem CID 3618793) has the molecular formula C21H41N3O3S and a molecular weight of 415.64 g/mol. Its IUPAC name is 1-[bis(2-methylpropyl)sulfamoyl]-N-cycloheptylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[bis(2-methylpropyl)sulfamoyl]-N-cycloheptylpiperidine-4-carboxamide
PubChem CID3618793
Molecular FormulaC21H41N3O3S
Molecular Weight415.64 g/mol
Exact Mass415.29
IUPAC Name1-[bis(2-methylpropyl)sulfamoyl]-N-cycloheptylpiperidine-4-carboxamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C21H41N3O3S/c1-17(2)15-24(16-18(3)4)28(26,27)23-13-11-19(12-14-23)21(25)22-20-9-7-5-6-8-10-20/h17-20H,5-16H2,1-4H3,(H,22,25)
InChIKeyCUYSOOYUQBHLRP-UHFFFAOYSA-N
XLogP3.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.64
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-methylpropyl)sulfamoyl]-N-cycloheptylpiperidine-4-carboxamide?
The IUPAC name of 1-[bis(2-methylpropyl)sulfamoyl]-N-cycloheptylpiperidine-4-carboxamide (CID 3618793) is 1-[bis(2-methylpropyl)sulfamoyl]-N-cycloheptylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[bis(2-methylpropyl)sulfamoyl]-N-cycloheptylpiperidine-4-carboxamide?
The canonical SMILES for 1-[bis(2-methylpropyl)sulfamoyl]-N-cycloheptylpiperidine-4-carboxamide is CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1.
What is the InChIKey of 1-[bis(2-methylpropyl)sulfamoyl]-N-cycloheptylpiperidine-4-carboxamide?
The InChIKey is CUYSOOYUQBHLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3O3S/c1-17(2)15-24(16-18(3)4)28(26,27)23-13-11-19(12-14-23)21(25)22-20-9-7-5-6-8-10-20/h17-20H,5-16H2,1-4H3,(H,22,25).
What are the key properties of 1-[bis(2-methylpropyl)sulfamoyl]-N-cycloheptylpiperidine-4-carboxamide?
1-[bis(2-methylpropyl)sulfamoyl]-N-cycloheptylpiperidine-4-carboxamide has a molecular weight of 415.64 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-methylpropyl)sulfamoyl]-N-cycloheptylpiperidine-4-carboxamide is sourced from PubChem (CID 3618793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).