N-(5-amino-3-methyl-2-pyridinyl)-1,1-dioxothiane-4-sulfonamide

C11H17N3O4S2 — CID 115910798

IUPACN-(5-amino-3-methyl-2-pyridinyl)-1,1-dioxothiane-4-sulfonamide
SMILESCc1cc(N)cnc1NS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C11H17N3O4S2/c1-8-6-9(12)7-13-11(8)14-20(17,18)10-2-4-19(15,16)5-3-10/h6-7,10H,2-5,12H2,1H3,(H,13,14)
InChIKeyQBUXZNAAOCIHTP-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.29
Rot. Bonds3

About N-(5-amino-3-methyl-2-pyridinyl)-1,1-dioxothiane-4-sulfonamide

N-(5-amino-3-methyl-2-pyridinyl)-1,1-dioxothiane-4-sulfonamide (PubChem CID 115910798) has the molecular formula C11H17N3O4S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(5-amino-3-methyl-2-pyridinyl)-1,1-dioxothiane-4-sulfonamide.

Molecular Properties

Compound NameN-(5-amino-3-methyl-2-pyridinyl)-1,1-dioxothiane-4-sulfonamide
PubChem CID115910798
Molecular FormulaC11H17N3O4S2
Molecular Weight319.41 g/mol
Exact Mass319.07
IUPAC NameN-(5-amino-3-methyl-2-pyridinyl)-1,1-dioxothiane-4-sulfonamide
SMILESCc1cc(N)cnc1NS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C11H17N3O4S2/c1-8-6-9(12)7-13-11(8)14-20(17,18)10-2-4-19(15,16)5-3-10/h6-7,10H,2-5,12H2,1H3,(H,13,14)
InChIKeyQBUXZNAAOCIHTP-UHFFFAOYSA-N
XLogP0.29
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-1,1-dioxothiane-4-sulfonamide?
The IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-1,1-dioxothiane-4-sulfonamide (CID 115910798) is N-(5-amino-3-methyl-2-pyridinyl)-1,1-dioxothiane-4-sulfonamide.
What is the SMILES notation for N-(5-amino-3-methyl-2-pyridinyl)-1,1-dioxothiane-4-sulfonamide?
The canonical SMILES for N-(5-amino-3-methyl-2-pyridinyl)-1,1-dioxothiane-4-sulfonamide is Cc1cc(N)cnc1NS(=O)(=O)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-(5-amino-3-methyl-2-pyridinyl)-1,1-dioxothiane-4-sulfonamide?
The InChIKey is QBUXZNAAOCIHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S2/c1-8-6-9(12)7-13-11(8)14-20(17,18)10-2-4-19(15,16)5-3-10/h6-7,10H,2-5,12H2,1H3,(H,13,14).
What are the key properties of N-(5-amino-3-methyl-2-pyridinyl)-1,1-dioxothiane-4-sulfonamide?
N-(5-amino-3-methyl-2-pyridinyl)-1,1-dioxothiane-4-sulfonamide has a molecular weight of 319.41 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-3-methyl-2-pyridinyl)-1,1-dioxothiane-4-sulfonamide is sourced from PubChem (CID 115910798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).