N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-methylpropane-1-sulfonamide

C17H30N2O3S — CID 121056475

IUPACN-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-methylpropane-1-sulfonamide
SMILESCc1cc(CN2CCC(CNS(=O)(=O)CC(C)C)CC2)c(C)o1
InChIInChI=1S/C17H30N2O3S/c1-13(2)12-23(20,21)18-10-16-5-7-19(8-6-16)11-17-9-14(3)22-15(17)4/h9,13,16,18H,5-8,10-12H2,1-4H3
InChIKeyYPUUICIHNIFXOZ-UHFFFAOYSA-N
MW342.51 g/mol
LogP2.68
Rot. Bonds7

About N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-methylpropane-1-sulfonamide

N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-methylpropane-1-sulfonamide (PubChem CID 121056475) has the molecular formula C17H30N2O3S and a molecular weight of 342.51 g/mol. Its IUPAC name is N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-methylpropane-1-sulfonamide
PubChem CID121056475
Molecular FormulaC17H30N2O3S
Molecular Weight342.51 g/mol
Exact Mass342.20
IUPAC NameN-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-methylpropane-1-sulfonamide
SMILESCc1cc(CN2CCC(CNS(=O)(=O)CC(C)C)CC2)c(C)o1
InChIInChI=1S/C17H30N2O3S/c1-13(2)12-23(20,21)18-10-16-5-7-19(8-6-16)11-17-9-14(3)22-15(17)4/h9,13,16,18H,5-8,10-12H2,1-4H3
InChIKeyYPUUICIHNIFXOZ-UHFFFAOYSA-N
XLogP2.68
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-methylpropane-1-sulfonamide with MolForge

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Related Compounds

N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-phenoxypropanamide
CID 121057623
1-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-3-(2-methoxyethyl)urea
CID 121057629
1-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-yl)urea
CID 91812785
N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 121126883
N'-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 121056458
N-[[4-[(4-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62412026
4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 102736546
[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-3-yl]methanol
CID 115879487
1-(2,5-dimethylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16888258
N-[[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]methyl]propane-2-sulfonamide
CID 25037634
2-methoxy-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 110309147
N-[(2,5-dimethylfuran-3-yl)methyl]ethanesulfonamide
CID 90536150

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-methylpropane-1-sulfonamide?
The IUPAC name of N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-methylpropane-1-sulfonamide (CID 121056475) is N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-methylpropane-1-sulfonamide is Cc1cc(CN2CCC(CNS(=O)(=O)CC(C)C)CC2)c(C)o1.
What is the InChIKey of N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-methylpropane-1-sulfonamide?
The InChIKey is YPUUICIHNIFXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3S/c1-13(2)12-23(20,21)18-10-16-5-7-19(8-6-16)11-17-9-14(3)22-15(17)4/h9,13,16,18H,5-8,10-12H2,1-4H3.
What are the key properties of N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-methylpropane-1-sulfonamide?
N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-methylpropane-1-sulfonamide has a molecular weight of 342.51 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 121056475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).