N-(5-azaspiro[3.5]nonan-8-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C12H19N3O3S2 — CID 43597909

IUPACN-(5-azaspiro[3.5]nonan-8-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NC1CCNC2(CCC2)C1
InChIInChI=1S/C12H19N3O3S2/c1-8-10(19-11(16)14-8)20(17,18)15-9-3-6-13-12(7-9)4-2-5-12/h9,13,15H,2-7H2,1H3,(H,14,16)
InChIKeyQXYAFFZWPSHFCJ-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.70
Rot. Bonds3

About N-(5-azaspiro[3.5]nonan-8-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-(5-azaspiro[3.5]nonan-8-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 43597909) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-(5-azaspiro[3.5]nonan-8-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(5-azaspiro[3.5]nonan-8-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID43597909
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC NameN-(5-azaspiro[3.5]nonan-8-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NC1CCNC2(CCC2)C1
InChIInChI=1S/C12H19N3O3S2/c1-8-10(19-11(16)14-8)20(17,18)15-9-3-6-13-12(7-9)4-2-5-12/h9,13,15H,2-7H2,1H3,(H,14,16)
InChIKeyQXYAFFZWPSHFCJ-UHFFFAOYSA-N
XLogP0.70
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-azaspiro[3.5]nonan-8-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(5-azaspiro[3.5]nonan-8-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 43597909) is N-(5-azaspiro[3.5]nonan-8-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(5-azaspiro[3.5]nonan-8-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(5-azaspiro[3.5]nonan-8-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NC1CCNC2(CCC2)C1.
What is the InChIKey of N-(5-azaspiro[3.5]nonan-8-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is QXYAFFZWPSHFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-8-10(19-11(16)14-8)20(17,18)15-9-3-6-13-12(7-9)4-2-5-12/h9,13,15H,2-7H2,1H3,(H,14,16).
What are the key properties of N-(5-azaspiro[3.5]nonan-8-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-(5-azaspiro[3.5]nonan-8-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 317.44 g/mol, XLogP of 0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-azaspiro[3.5]nonan-8-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43597909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).