N-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-sulfonamide

C11H17N3O4S2 — CID 63922804

IUPACN-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C11H17N3O4S2/c1-12-11-10(5-2-6-13-11)20(17,18)14-9-4-3-7-19(15,16)8-9/h2,5-6,9,14H,3-4,7-8H2,1H3,(H,12,13)
InChIKeyFDCSQFOKCXVIFR-UHFFFAOYSA-N
MW319.41 g/mol
LogP-0.02
Rot. Bonds4

About N-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-sulfonamide

N-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-sulfonamide (PubChem CID 63922804) has the molecular formula C11H17N3O4S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-sulfonamide
PubChem CID63922804
Molecular FormulaC11H17N3O4S2
Molecular Weight319.41 g/mol
Exact Mass319.07
IUPAC NameN-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C11H17N3O4S2/c1-12-11-10(5-2-6-13-11)20(17,18)14-9-4-3-7-19(15,16)8-9/h2,5-6,9,14H,3-4,7-8H2,1H3,(H,12,13)
InChIKeyFDCSQFOKCXVIFR-UHFFFAOYSA-N
XLogP-0.02
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(methylamino)-N-(oxan-3-yl)pyridine-3-sulfonamide
CID 63361997
N-(2-hydroxycyclohexyl)-2-(methylamino)pyridine-3-sulfonamide
CID 55063851
N-(1,1-dioxothian-3-yl)-2-hydrazinylbenzenesulfonamide
CID 63923756
N-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-carboxamide
CID 63918472
N-(cyclopentylmethyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62145518
5-bromo-N-(1,1-dioxothian-3-yl)-2-methylbenzenesulfonamide
CID 63923380
N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103303063
3-bromo-N-(1,1-dioxothian-3-yl)pyridin-2-amine
CID 63922588
3-amino-5-bromo-N-(1,1-dioxothian-3-yl)-2-methylbenzenesulfonamide
CID 114379675
2-amino-N-(1,1-dioxothian-4-yl)pyridine-3-sulfonamide
CID 62146133
N-(1,1-dioxothian-3-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 63922792
5-amino-N-(1,1-dioxothian-3-yl)-2-ethylbenzenesulfonamide
CID 63924074

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-sulfonamide (CID 63922804) is N-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-sulfonamide is CNc1ncccc1S(=O)(=O)NC1CCCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-sulfonamide?
The InChIKey is FDCSQFOKCXVIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S2/c1-12-11-10(5-2-6-13-11)20(17,18)14-9-4-3-7-19(15,16)8-9/h2,5-6,9,14H,3-4,7-8H2,1H3,(H,12,13).
What are the key properties of N-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-sulfonamide?
N-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-sulfonamide has a molecular weight of 319.41 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 63922804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).