N-(1,1-dioxothian-4-yl)-3-fluoropyridine-4-carboxamide

C11H13FN2O3S — CID 115646668

IUPACN-(1,1-dioxothian-4-yl)-3-fluoropyridine-4-carboxamide
SMILESO=C(NC1CCS(=O)(=O)CC1)c1ccncc1F
InChIInChI=1S/C11H13FN2O3S/c12-10-7-13-4-1-9(10)11(15)14-8-2-5-18(16,17)6-3-8/h1,4,7-8H,2-3,5-6H2,(H,14,15)
InChIKeyODTDPNPCQCJQHD-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.53
Rot. Bonds2

About N-(1,1-dioxothian-4-yl)-3-fluoropyridine-4-carboxamide

N-(1,1-dioxothian-4-yl)-3-fluoropyridine-4-carboxamide (PubChem CID 115646668) has the molecular formula C11H13FN2O3S and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-3-fluoropyridine-4-carboxamide
PubChem CID115646668
Molecular FormulaC11H13FN2O3S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC NameN-(1,1-dioxothian-4-yl)-3-fluoropyridine-4-carboxamide
SMILESO=C(NC1CCS(=O)(=O)CC1)c1ccncc1F
InChIInChI=1S/C11H13FN2O3S/c12-10-7-13-4-1-9(10)11(15)14-8-2-5-18(16,17)6-3-8/h1,4,7-8H,2-3,5-6H2,(H,14,15)
InChIKeyODTDPNPCQCJQHD-UHFFFAOYSA-N
XLogP0.53
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-fluoropyridine-4-carboxamide
CID 64950507
3-fluoro-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide
CID 64950701
4-chloro-N-(1,1-dioxothian-4-yl)pyridine-3-carboxamide
CID 81225808
N-(4-aminocyclohexyl)-3-fluoropyridine-4-carboxamide
CID 64950869
N-(1-cyclopropylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide
CID 115646277
3-fluoro-N-piperidin-4-ylpyridine-4-carboxamide;dihydrochloride
CID 117073389
N-(1-acetylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide
CID 113240920
N-(3-aminocyclobutyl)-3-fluoropyridine-4-carboxamide
CID 64951103
3-[(3-fluoropyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64951456
3-fluoro-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide
CID 64950714
N-[4-(cyclopropylamino)-4-oxobutyl]-3-fluoropyridine-4-carboxamide
CID 115646353
3-fluoro-N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]pyridine-4-carboxamide
CID 126853296

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)-3-fluoropyridine-4-carboxamide (CID 115646668) is N-(1,1-dioxothian-4-yl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-3-fluoropyridine-4-carboxamide is O=C(NC1CCS(=O)(=O)CC1)c1ccncc1F.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-3-fluoropyridine-4-carboxamide?
The InChIKey is ODTDPNPCQCJQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3S/c12-10-7-13-4-1-9(10)11(15)14-8-2-5-18(16,17)6-3-8/h1,4,7-8H,2-3,5-6H2,(H,14,15).
What are the key properties of N-(1,1-dioxothian-4-yl)-3-fluoropyridine-4-carboxamide?
N-(1,1-dioxothian-4-yl)-3-fluoropyridine-4-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 115646668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).