N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-sulfonamide

C13H15N3O2S2 — CID 71997322

IUPACN-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-sulfonamide
SMILESCc1cnc(C(NS(=O)(=O)c2cccnc2)C2CC2)s1
InChIInChI=1S/C13H15N3O2S2/c1-9-7-15-13(19-9)12(10-4-5-10)16-20(17,18)11-3-2-6-14-8-11/h2-3,6-8,10,12,16H,4-5H2,1H3
InChIKeyYWVIFMLUVFVGBC-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.28
Rot. Bonds5

About N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-sulfonamide

N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-sulfonamide (PubChem CID 71997322) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-sulfonamide
PubChem CID71997322
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC NameN-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-sulfonamide
SMILESCc1cnc(C(NS(=O)(=O)c2cccnc2)C2CC2)s1
InChIInChI=1S/C13H15N3O2S2/c1-9-7-15-13(19-9)12(10-4-5-10)16-20(17,18)11-3-2-6-14-8-11/h2-3,6-8,10,12,16H,4-5H2,1H3
InChIKeyYWVIFMLUVFVGBC-UHFFFAOYSA-N
XLogP2.28
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-sulfonamide (CID 71997322) is N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-sulfonamide is Cc1cnc(C(NS(=O)(=O)c2cccnc2)C2CC2)s1.
What is the InChIKey of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is YWVIFMLUVFVGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c1-9-7-15-13(19-9)12(10-4-5-10)16-20(17,18)11-3-2-6-14-8-11/h2-3,6-8,10,12,16H,4-5H2,1H3.
What are the key properties of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-sulfonamide?
N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 309.42 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 71997322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).