N,N-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide

C12H15N3O3S2 — CID 7779170

IUPACN,N-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide
SMILESCc1cc(CSc2ccc(S(=O)(=O)N(C)C)cn2)no1
InChIInChI=1S/C12H15N3O3S2/c1-9-6-10(14-18-9)8-19-12-5-4-11(7-13-12)20(16,17)15(2)3/h4-7H,8H2,1-3H3
InChIKeyOAYXDGTVHNXBJP-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.92
Rot. Bonds5

About N,N-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide

N,N-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide (PubChem CID 7779170) has the molecular formula C12H15N3O3S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N,N-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide
PubChem CID7779170
Molecular FormulaC12H15N3O3S2
Molecular Weight313.40 g/mol
Exact Mass313.06
IUPAC NameN,N-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide
SMILESCc1cc(CSc2ccc(S(=O)(=O)N(C)C)cn2)no1
InChIInChI=1S/C12H15N3O3S2/c1-9-6-10(14-18-9)8-19-12-5-4-11(7-13-12)20(16,17)15(2)3/h4-7H,8H2,1-3H3
InChIKeyOAYXDGTVHNXBJP-UHFFFAOYSA-N
XLogP1.92
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide?
The IUPAC name of N,N-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide (CID 7779170) is N,N-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide is Cc1cc(CSc2ccc(S(=O)(=O)N(C)C)cn2)no1.
What is the InChIKey of N,N-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide?
The InChIKey is OAYXDGTVHNXBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S2/c1-9-6-10(14-18-9)8-19-12-5-4-11(7-13-12)20(16,17)15(2)3/h4-7H,8H2,1-3H3.
What are the key properties of N,N-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide?
N,N-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide has a molecular weight of 313.40 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide is sourced from PubChem (CID 7779170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).