N-cyclopropylsulfonyl-1-(furan-2-carbonyl)-3-methylpiperidine-3-carboxamide

C15H20N2O5S — CID 46942858

IUPACN-cyclopropylsulfonyl-1-(furan-2-carbonyl)-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C15H20N2O5S/c1-15(14(19)16-23(20,21)11-5-6-11)7-3-8-17(10-15)13(18)12-4-2-9-22-12/h2,4,9,11H,3,5-8,10H2,1H3,(H,16,19)
InChIKeyWDIRLSJQEYWFFD-UHFFFAOYSA-N
MW340.40 g/mol
LogP1.13
Rot. Bonds4

About N-cyclopropylsulfonyl-1-(furan-2-carbonyl)-3-methylpiperidine-3-carboxamide

N-cyclopropylsulfonyl-1-(furan-2-carbonyl)-3-methylpiperidine-3-carboxamide (PubChem CID 46942858) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-1-(furan-2-carbonyl)-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-1-(furan-2-carbonyl)-3-methylpiperidine-3-carboxamide
PubChem CID46942858
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC NameN-cyclopropylsulfonyl-1-(furan-2-carbonyl)-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C15H20N2O5S/c1-15(14(19)16-23(20,21)11-5-6-11)7-3-8-17(10-15)13(18)12-4-2-9-22-12/h2,4,9,11H,3,5-8,10H2,1H3,(H,16,19)
InChIKeyWDIRLSJQEYWFFD-UHFFFAOYSA-N
XLogP1.13
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-1-(furan-2-carbonyl)-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-1-(furan-2-carbonyl)-3-methylpiperidine-3-carboxamide (CID 46942858) is N-cyclopropylsulfonyl-1-(furan-2-carbonyl)-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-1-(furan-2-carbonyl)-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-1-(furan-2-carbonyl)-3-methylpiperidine-3-carboxamide is CC1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2ccco2)C1.
What is the InChIKey of N-cyclopropylsulfonyl-1-(furan-2-carbonyl)-3-methylpiperidine-3-carboxamide?
The InChIKey is WDIRLSJQEYWFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-15(14(19)16-23(20,21)11-5-6-11)7-3-8-17(10-15)13(18)12-4-2-9-22-12/h2,4,9,11H,3,5-8,10H2,1H3,(H,16,19).
What are the key properties of N-cyclopropylsulfonyl-1-(furan-2-carbonyl)-3-methylpiperidine-3-carboxamide?
N-cyclopropylsulfonyl-1-(furan-2-carbonyl)-3-methylpiperidine-3-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-1-(furan-2-carbonyl)-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 46942858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).