6-(dimethylamino)-N-(1-oxothiolan-1-ylidene)pyridine-3-sulfonamide

C11H17N3O3S2 — CID 146103573

IUPAC6-(dimethylamino)-N-(1-oxothiolan-1-ylidene)pyridine-3-sulfonamide
SMILESCN(C)c1ccc(S(=O)(=O)N=S2(=O)CCCC2)cn1
InChIInChI=1S/C11H17N3O3S2/c1-14(2)11-6-5-10(9-12-11)19(16,17)13-18(15)7-3-4-8-18/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyLOVOHDRYPUEYPB-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.10
Rot. Bonds3

About 6-(dimethylamino)-N-(1-oxothiolan-1-ylidene)pyridine-3-sulfonamide

6-(dimethylamino)-N-(1-oxothiolan-1-ylidene)pyridine-3-sulfonamide (PubChem CID 146103573) has the molecular formula C11H17N3O3S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 6-(dimethylamino)-N-(1-oxothiolan-1-ylidene)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-(1-oxothiolan-1-ylidene)pyridine-3-sulfonamide
PubChem CID146103573
Molecular FormulaC11H17N3O3S2
Molecular Weight303.41 g/mol
Exact Mass303.07
IUPAC Name6-(dimethylamino)-N-(1-oxothiolan-1-ylidene)pyridine-3-sulfonamide
SMILESCN(C)c1ccc(S(=O)(=O)N=S2(=O)CCCC2)cn1
InChIInChI=1S/C11H17N3O3S2/c1-14(2)11-6-5-10(9-12-11)19(16,17)13-18(15)7-3-4-8-18/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyLOVOHDRYPUEYPB-UHFFFAOYSA-N
XLogP1.10
TPSA79.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-(1-oxothiolan-1-ylidene)pyridine-3-sulfonamide?
The IUPAC name of 6-(dimethylamino)-N-(1-oxothiolan-1-ylidene)pyridine-3-sulfonamide (CID 146103573) is 6-(dimethylamino)-N-(1-oxothiolan-1-ylidene)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(dimethylamino)-N-(1-oxothiolan-1-ylidene)pyridine-3-sulfonamide?
The canonical SMILES for 6-(dimethylamino)-N-(1-oxothiolan-1-ylidene)pyridine-3-sulfonamide is CN(C)c1ccc(S(=O)(=O)N=S2(=O)CCCC2)cn1.
What is the InChIKey of 6-(dimethylamino)-N-(1-oxothiolan-1-ylidene)pyridine-3-sulfonamide?
The InChIKey is LOVOHDRYPUEYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S2/c1-14(2)11-6-5-10(9-12-11)19(16,17)13-18(15)7-3-4-8-18/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 6-(dimethylamino)-N-(1-oxothiolan-1-ylidene)pyridine-3-sulfonamide?
6-(dimethylamino)-N-(1-oxothiolan-1-ylidene)pyridine-3-sulfonamide has a molecular weight of 303.41 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-(1-oxothiolan-1-ylidene)pyridine-3-sulfonamide is sourced from PubChem (CID 146103573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).