N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide

C20H30N2O4S — CID 56798893

IUPACN-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)C1
InChIInChI=1S/C20H30N2O4S/c1-16-6-5-11-22(13-16)27(23,24)21-14-20(9-3-2-4-10-20)17-7-8-18-19(12-17)26-15-25-18/h7-8,12,16,21H,2-6,9-11,13-15H2,1H3
InChIKeyZQXAAZUAYZCUCZ-UHFFFAOYSA-N
MW394.54 g/mol
LogP3.18
Rot. Bonds5

About N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide

N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide (PubChem CID 56798893) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide
PubChem CID56798893
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC NameN-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)C1
InChIInChI=1S/C20H30N2O4S/c1-16-6-5-11-22(13-16)27(23,24)21-14-20(9-3-2-4-10-20)17-7-8-18-19(12-17)26-15-25-18/h7-8,12,16,21H,2-6,9-11,13-15H2,1H3
InChIKeyZQXAAZUAYZCUCZ-UHFFFAOYSA-N
XLogP3.18
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide with MolForge

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Related Compounds

(3R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 94021508
(3S)-3-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methylamino]oxolan-2-one
CID 95624542
(3S)-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-methylmorpholine-4-carboxamide
CID 97024808
1-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-propan-2-ylthiourea
CID 71885970
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methylsulfamoyl]ethanamine
CID 122141076
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
2-amino-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]acetamide
CID 119303765
1-[3-(1,3-benzodioxol-5-yloxy)propylsulfonyl]-3-methylpiperidine
CID 16884211
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-4-methylpiperidine-1-carboxamide
CID 47873402
N'-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144227
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexyl]methyl]cyclopropanamine
CID 62596832
(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95141775

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide (CID 56798893) is N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)C1.
What is the InChIKey of N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide?
The InChIKey is ZQXAAZUAYZCUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-16-6-5-11-22(13-16)27(23,24)21-14-20(9-3-2-4-10-20)17-7-8-18-19(12-17)26-15-25-18/h7-8,12,16,21H,2-6,9-11,13-15H2,1H3.
What are the key properties of N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide?
N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide has a molecular weight of 394.54 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 56798893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).