N-(2-methoxy-4-pyridinyl)piperidine-3-sulfonamide

C11H17N3O3S — CID 112739564

IUPACN-(2-methoxy-4-pyridinyl)piperidine-3-sulfonamide
SMILESCOc1cc(NS(=O)(=O)C2CCCNC2)ccn1
InChIInChI=1S/C11H17N3O3S/c1-17-11-7-9(4-6-13-11)14-18(15,16)10-3-2-5-12-8-10/h4,6-7,10,12H,2-3,5,8H2,1H3,(H,13,14)
InChIKeyGXPHHTBSUCSSOR-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.58
Rot. Bonds4

About N-(2-methoxy-4-pyridinyl)piperidine-3-sulfonamide

N-(2-methoxy-4-pyridinyl)piperidine-3-sulfonamide (PubChem CID 112739564) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(2-methoxy-4-pyridinyl)piperidine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-4-pyridinyl)piperidine-3-sulfonamide
PubChem CID112739564
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC NameN-(2-methoxy-4-pyridinyl)piperidine-3-sulfonamide
SMILESCOc1cc(NS(=O)(=O)C2CCCNC2)ccn1
InChIInChI=1S/C11H17N3O3S/c1-17-11-7-9(4-6-13-11)14-18(15,16)10-3-2-5-12-8-10/h4,6-7,10,12H,2-3,5,8H2,1H3,(H,13,14)
InChIKeyGXPHHTBSUCSSOR-UHFFFAOYSA-N
XLogP0.58
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-pyridinyl)piperidine-3-sulfonamide?
The IUPAC name of N-(2-methoxy-4-pyridinyl)piperidine-3-sulfonamide (CID 112739564) is N-(2-methoxy-4-pyridinyl)piperidine-3-sulfonamide.
What is the SMILES notation for N-(2-methoxy-4-pyridinyl)piperidine-3-sulfonamide?
The canonical SMILES for N-(2-methoxy-4-pyridinyl)piperidine-3-sulfonamide is COc1cc(NS(=O)(=O)C2CCCNC2)ccn1.
What is the InChIKey of N-(2-methoxy-4-pyridinyl)piperidine-3-sulfonamide?
The InChIKey is GXPHHTBSUCSSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-17-11-7-9(4-6-13-11)14-18(15,16)10-3-2-5-12-8-10/h4,6-7,10,12H,2-3,5,8H2,1H3,(H,13,14).
What are the key properties of N-(2-methoxy-4-pyridinyl)piperidine-3-sulfonamide?
N-(2-methoxy-4-pyridinyl)piperidine-3-sulfonamide has a molecular weight of 271.34 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-pyridinyl)piperidine-3-sulfonamide is sourced from PubChem (CID 112739564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).