N-(1,3-benzodioxol-5-ylmethyl)-1-[bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxamide

C22H35N3O5S — CID 5323315

IUPACN-(1,3-benzodioxol-5-ylmethyl)-1-[bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NCc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C22H35N3O5S/c1-16(2)13-25(14-17(3)4)31(27,28)24-9-7-19(8-10-24)22(26)23-12-18-5-6-20-21(11-18)30-15-29-20/h5-6,11,16-17,19H,7-10,12-15H2,1-4H3,(H,23,26)
InChIKeyLOUHCUCQWCQCNZ-UHFFFAOYSA-N
MW453.61 g/mol
LogP2.60
Rot. Bonds9

About N-(1,3-benzodioxol-5-ylmethyl)-1-[bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-1-[bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxamide (PubChem CID 5323315) has the molecular formula C22H35N3O5S and a molecular weight of 453.61 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1-[bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-1-[bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxamide
PubChem CID5323315
Molecular FormulaC22H35N3O5S
Molecular Weight453.61 g/mol
Exact Mass453.23
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-1-[bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NCc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C22H35N3O5S/c1-16(2)13-25(14-17(3)4)31(27,28)24-9-7-19(8-10-24)22(26)23-12-18-5-6-20-21(11-18)30-15-29-20/h5-6,11,16-17,19H,7-10,12-15H2,1-4H3,(H,23,26)
InChIKeyLOUHCUCQWCQCNZ-UHFFFAOYSA-N
XLogP2.60
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-ylmethyl)-1-[bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Piperonylpiperazine
CID 94426
1-(3,4-Methylenedioxybenzyl)-4-(1-oxobutyl)piperazine
CID 198798
Cur-61414
CID 10392802
(E)-N-(2-(1,3-benzodioxol-5-yl)ethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 18159637
2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-acetamide
CID 862174
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)propanamide
CID 1529576
(1,3-Dioxaindan-5-ylmethyl)(ethyl)amine
CID 225840
N-((2H-1,3-Benzodioxol-5-yl)methyl)ethanimidic acid
CID 290549
N-(1,3-benzodioxol-5-ylmethyl)-4-{[(phenylsulfonyl)amino]methyl}cyclohexanecarboxamide
CID 3243047
N-(1,3-benzodioxol-5-ylmethyl)-3-phenylpropanamide
CID 673798
N-(1,3-benzodioxol-5-ylmethyl)cyclohexanecarboxamide
CID 683219
Ethyl 4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinecarboxylate
CID 783485

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-[bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-[bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxamide (CID 5323315) is N-(1,3-benzodioxol-5-ylmethyl)-1-[bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1-[bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1-[bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxamide is CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NCc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1-[bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxamide?
The InChIKey is LOUHCUCQWCQCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O5S/c1-16(2)13-25(14-17(3)4)31(27,28)24-9-7-19(8-10-24)22(26)23-12-18-5-6-20-21(11-18)30-15-29-20/h5-6,11,16-17,19H,7-10,12-15H2,1-4H3,(H,23,26).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1-[bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-1-[bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxamide has a molecular weight of 453.61 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-1-[bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxamide is sourced from PubChem (CID 5323315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).