4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide

C13H21N3O3S2 — CID 61013272

IUPAC4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCC1CC2CCC(C1)N2C
InChIInChI=1S/C13H21N3O3S2/c1-8-12(20-13(17)15-8)21(18,19)14-7-9-5-10-3-4-11(6-9)16(10)2/h9-11,14H,3-7H2,1-2H3,(H,15,17)
InChIKeyPIDFFUAXAQYNAB-UHFFFAOYSA-N
MW331.46 g/mol
LogP0.90
Rot. Bonds4

About 4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide

4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 61013272) has the molecular formula C13H21N3O3S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID61013272
Molecular FormulaC13H21N3O3S2
Molecular Weight331.46 g/mol
Exact Mass331.10
IUPAC Name4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCC1CC2CCC(C1)N2C
InChIInChI=1S/C13H21N3O3S2/c1-8-12(20-13(17)15-8)21(18,19)14-7-9-5-10-3-4-11(6-9)16(10)2/h9-11,14H,3-7H2,1-2H3,(H,15,17)
InChIKeyPIDFFUAXAQYNAB-UHFFFAOYSA-N
XLogP0.90
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 61013272) is 4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NCC1CC2CCC(C1)N2C.
What is the InChIKey of 4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is PIDFFUAXAQYNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S2/c1-8-12(20-13(17)15-8)21(18,19)14-7-9-5-10-3-4-11(6-9)16(10)2/h9-11,14H,3-7H2,1-2H3,(H,15,17).
What are the key properties of 4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide?
4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 331.46 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61013272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).