1-[2-(dimethylamino)ethyl]-6-oxopyridine-3-sulfonamide

C9H15N3O3S — CID 137403789

IUPAC1-[2-(dimethylamino)ethyl]-6-oxopyridine-3-sulfonamide
SMILESCN(C)CCn1cc(S(N)(=O)=O)ccc1=O
InChIInChI=1S/C9H15N3O3S/c1-11(2)5-6-12-7-8(16(10,14)15)3-4-9(12)13/h3-4,7H,5-6H2,1-2H3,(H2,10,14,15)
InChIKeyDJRPHXOTSIFZDY-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.94
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-6-oxopyridine-3-sulfonamide

1-[2-(dimethylamino)ethyl]-6-oxopyridine-3-sulfonamide (PubChem CID 137403789) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-6-oxopyridine-3-sulfonamide
PubChem CID137403789
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name1-[2-(dimethylamino)ethyl]-6-oxopyridine-3-sulfonamide
SMILESCN(C)CCn1cc(S(N)(=O)=O)ccc1=O
InChIInChI=1S/C9H15N3O3S/c1-11(2)5-6-12-7-8(16(10,14)15)3-4-9(12)13/h3-4,7H,5-6H2,1-2H3,(H2,10,14,15)
InChIKeyDJRPHXOTSIFZDY-UHFFFAOYSA-N
XLogP-0.94
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-6-oxopyridine-3-sulfonamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-6-oxopyridine-3-sulfonamide (CID 137403789) is 1-[2-(dimethylamino)ethyl]-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-6-oxopyridine-3-sulfonamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-6-oxopyridine-3-sulfonamide is CN(C)CCn1cc(S(N)(=O)=O)ccc1=O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-6-oxopyridine-3-sulfonamide?
The InChIKey is DJRPHXOTSIFZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-11(2)5-6-12-7-8(16(10,14)15)3-4-9(12)13/h3-4,7H,5-6H2,1-2H3,(H2,10,14,15).
What are the key properties of 1-[2-(dimethylamino)ethyl]-6-oxopyridine-3-sulfonamide?
1-[2-(dimethylamino)ethyl]-6-oxopyridine-3-sulfonamide has a molecular weight of 245.30 g/mol, XLogP of -0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 137403789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).