N-tert-butyl-1-ethyl-4-methylsulfanyl-2-oxopyridine-3-sulfonamide

C12H20N2O3S2 — CID 54413620

IUPACN-tert-butyl-1-ethyl-4-methylsulfanyl-2-oxopyridine-3-sulfonamide
SMILESCCn1ccc(SC)c(S(=O)(=O)NC(C)(C)C)c1=O
InChIInChI=1S/C12H20N2O3S2/c1-6-14-8-7-9(18-5)10(11(14)15)19(16,17)13-12(2,3)4/h7-8,13H,6H2,1-5H3
InChIKeyVVVVVEXRXUPAPV-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.67
Rot. Bonds4

About N-tert-butyl-1-ethyl-4-methylsulfanyl-2-oxopyridine-3-sulfonamide

N-tert-butyl-1-ethyl-4-methylsulfanyl-2-oxopyridine-3-sulfonamide (PubChem CID 54413620) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N-tert-butyl-1-ethyl-4-methylsulfanyl-2-oxopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-1-ethyl-4-methylsulfanyl-2-oxopyridine-3-sulfonamide
PubChem CID54413620
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC NameN-tert-butyl-1-ethyl-4-methylsulfanyl-2-oxopyridine-3-sulfonamide
SMILESCCn1ccc(SC)c(S(=O)(=O)NC(C)(C)C)c1=O
InChIInChI=1S/C12H20N2O3S2/c1-6-14-8-7-9(18-5)10(11(14)15)19(16,17)13-12(2,3)4/h7-8,13H,6H2,1-5H3
InChIKeyVVVVVEXRXUPAPV-UHFFFAOYSA-N
XLogP1.67
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-ethyl-4-methylsulfanyl-2-oxopyridine-3-sulfonamide?
The IUPAC name of N-tert-butyl-1-ethyl-4-methylsulfanyl-2-oxopyridine-3-sulfonamide (CID 54413620) is N-tert-butyl-1-ethyl-4-methylsulfanyl-2-oxopyridine-3-sulfonamide.
What is the SMILES notation for N-tert-butyl-1-ethyl-4-methylsulfanyl-2-oxopyridine-3-sulfonamide?
The canonical SMILES for N-tert-butyl-1-ethyl-4-methylsulfanyl-2-oxopyridine-3-sulfonamide is CCn1ccc(SC)c(S(=O)(=O)NC(C)(C)C)c1=O.
What is the InChIKey of N-tert-butyl-1-ethyl-4-methylsulfanyl-2-oxopyridine-3-sulfonamide?
The InChIKey is VVVVVEXRXUPAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-6-14-8-7-9(18-5)10(11(14)15)19(16,17)13-12(2,3)4/h7-8,13H,6H2,1-5H3.
What are the key properties of N-tert-butyl-1-ethyl-4-methylsulfanyl-2-oxopyridine-3-sulfonamide?
N-tert-butyl-1-ethyl-4-methylsulfanyl-2-oxopyridine-3-sulfonamide has a molecular weight of 304.44 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-ethyl-4-methylsulfanyl-2-oxopyridine-3-sulfonamide is sourced from PubChem (CID 54413620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).