4-methyl-2-oxo-N-(8-tricyclo[5.2.1.02,6]decanyl)-3H-1,3-thiazole-5-sulfonamide

C14H20N2O3S2 — CID 61273839

IUPAC4-methyl-2-oxo-N-(8-tricyclo[5.2.1.02,6]decanyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NC1CC2CC1C1CCCC21
InChIInChI=1S/C14H20N2O3S2/c1-7-13(20-14(17)15-7)21(18,19)16-12-6-8-5-11(12)10-4-2-3-9(8)10/h8-12,16H,2-6H2,1H3,(H,15,17)
InChIKeyYFTYYYGANIUXBR-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.85
Rot. Bonds3

About 4-methyl-2-oxo-N-(8-tricyclo[5.2.1.02,6]decanyl)-3H-1,3-thiazole-5-sulfonamide

4-methyl-2-oxo-N-(8-tricyclo[5.2.1.02,6]decanyl)-3H-1,3-thiazole-5-sulfonamide (PubChem CID 61273839) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-(8-tricyclo[5.2.1.02,6]decanyl)-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-(8-tricyclo[5.2.1.02,6]decanyl)-3H-1,3-thiazole-5-sulfonamide
PubChem CID61273839
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC Name4-methyl-2-oxo-N-(8-tricyclo[5.2.1.02,6]decanyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NC1CC2CC1C1CCCC21
InChIInChI=1S/C14H20N2O3S2/c1-7-13(20-14(17)15-7)21(18,19)16-12-6-8-5-11(12)10-4-2-3-9(8)10/h8-12,16H,2-6H2,1H3,(H,15,17)
InChIKeyYFTYYYGANIUXBR-UHFFFAOYSA-N
XLogP1.85
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-(8-tricyclo[5.2.1.02,6]decanyl)-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-2-oxo-N-(8-tricyclo[5.2.1.02,6]decanyl)-3H-1,3-thiazole-5-sulfonamide (CID 61273839) is 4-methyl-2-oxo-N-(8-tricyclo[5.2.1.02,6]decanyl)-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-2-oxo-N-(8-tricyclo[5.2.1.02,6]decanyl)-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-2-oxo-N-(8-tricyclo[5.2.1.02,6]decanyl)-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NC1CC2CC1C1CCCC21.
What is the InChIKey of 4-methyl-2-oxo-N-(8-tricyclo[5.2.1.02,6]decanyl)-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is YFTYYYGANIUXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S2/c1-7-13(20-14(17)15-7)21(18,19)16-12-6-8-5-11(12)10-4-2-3-9(8)10/h8-12,16H,2-6H2,1H3,(H,15,17).
What are the key properties of 4-methyl-2-oxo-N-(8-tricyclo[5.2.1.02,6]decanyl)-3H-1,3-thiazole-5-sulfonamide?
4-methyl-2-oxo-N-(8-tricyclo[5.2.1.02,6]decanyl)-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 328.46 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-(8-tricyclo[5.2.1.02,6]decanyl)-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61273839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).