6-tert-butyl-N-methyl-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide

C12H16N4O2S2 — CID 146103871

IUPAC6-tert-butyl-N-methyl-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
SMILESCN(c1nncs1)S(=O)(=O)c1ccc(C(C)(C)C)nc1
InChIInChI=1S/C12H16N4O2S2/c1-12(2,3)10-6-5-9(7-13-10)20(17,18)16(4)11-15-14-8-19-11/h5-8H,1-4H3
InChIKeySWDBUIILSBMHFU-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.06
Rot. Bonds3

About 6-tert-butyl-N-methyl-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide

6-tert-butyl-N-methyl-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide (PubChem CID 146103871) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-tert-butyl-N-methyl-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-tert-butyl-N-methyl-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
PubChem CID146103871
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC Name6-tert-butyl-N-methyl-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
SMILESCN(c1nncs1)S(=O)(=O)c1ccc(C(C)(C)C)nc1
InChIInChI=1S/C12H16N4O2S2/c1-12(2,3)10-6-5-9(7-13-10)20(17,18)16(4)11-15-14-8-19-11/h5-8H,1-4H3
InChIKeySWDBUIILSBMHFU-UHFFFAOYSA-N
XLogP2.06
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-methyl-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-tert-butyl-N-methyl-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide (CID 146103871) is 6-tert-butyl-N-methyl-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-tert-butyl-N-methyl-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-tert-butyl-N-methyl-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide is CN(c1nncs1)S(=O)(=O)c1ccc(C(C)(C)C)nc1.
What is the InChIKey of 6-tert-butyl-N-methyl-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide?
The InChIKey is SWDBUIILSBMHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-12(2,3)10-6-5-9(7-13-10)20(17,18)16(4)11-15-14-8-19-11/h5-8H,1-4H3.
What are the key properties of 6-tert-butyl-N-methyl-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide?
6-tert-butyl-N-methyl-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide has a molecular weight of 312.42 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-methyl-N-(1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 146103871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).