N,N-dimethyl-4-[4-(2-methylpropyl)piperidine-1-carbonyl]furan-2-sulfonamide

C16H26N2O4S — CID 84590964

IUPACN,N-dimethyl-4-[4-(2-methylpropyl)piperidine-1-carbonyl]furan-2-sulfonamide
SMILESCC(C)CC1CCN(C(=O)c2coc(S(=O)(=O)N(C)C)c2)CC1
InChIInChI=1S/C16H26N2O4S/c1-12(2)9-13-5-7-18(8-6-13)16(19)14-10-15(22-11-14)23(20,21)17(3)4/h10-13H,5-9H2,1-4H3
InChIKeyJATSXKWUWJIQBR-UHFFFAOYSA-N
MW342.46 g/mol
LogP2.43
Rot. Bonds5

About N,N-dimethyl-4-[4-(2-methylpropyl)piperidine-1-carbonyl]furan-2-sulfonamide

N,N-dimethyl-4-[4-(2-methylpropyl)piperidine-1-carbonyl]furan-2-sulfonamide (PubChem CID 84590964) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-(2-methylpropyl)piperidine-1-carbonyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-(2-methylpropyl)piperidine-1-carbonyl]furan-2-sulfonamide
PubChem CID84590964
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC NameN,N-dimethyl-4-[4-(2-methylpropyl)piperidine-1-carbonyl]furan-2-sulfonamide
SMILESCC(C)CC1CCN(C(=O)c2coc(S(=O)(=O)N(C)C)c2)CC1
InChIInChI=1S/C16H26N2O4S/c1-12(2)9-13-5-7-18(8-6-13)16(19)14-10-15(22-11-14)23(20,21)17(3)4/h10-13H,5-9H2,1-4H3
InChIKeyJATSXKWUWJIQBR-UHFFFAOYSA-N
XLogP2.43
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-(2-methylpropyl)piperidine-1-carbonyl]furan-2-sulfonamide?
The IUPAC name of N,N-dimethyl-4-[4-(2-methylpropyl)piperidine-1-carbonyl]furan-2-sulfonamide (CID 84590964) is N,N-dimethyl-4-[4-(2-methylpropyl)piperidine-1-carbonyl]furan-2-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[4-(2-methylpropyl)piperidine-1-carbonyl]furan-2-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-[4-(2-methylpropyl)piperidine-1-carbonyl]furan-2-sulfonamide is CC(C)CC1CCN(C(=O)c2coc(S(=O)(=O)N(C)C)c2)CC1.
What is the InChIKey of N,N-dimethyl-4-[4-(2-methylpropyl)piperidine-1-carbonyl]furan-2-sulfonamide?
The InChIKey is JATSXKWUWJIQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-12(2)9-13-5-7-18(8-6-13)16(19)14-10-15(22-11-14)23(20,21)17(3)4/h10-13H,5-9H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[4-(2-methylpropyl)piperidine-1-carbonyl]furan-2-sulfonamide?
N,N-dimethyl-4-[4-(2-methylpropyl)piperidine-1-carbonyl]furan-2-sulfonamide has a molecular weight of 342.46 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-(2-methylpropyl)piperidine-1-carbonyl]furan-2-sulfonamide is sourced from PubChem (CID 84590964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).