N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

C15H20N2O4S2 — CID 91643893

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCc1nc(C)c(S(=O)(=O)NC(=O)C2CC3CCCC(C2)C3=O)s1
InChIInChI=1S/C15H20N2O4S2/c1-8-15(22-9(2)16-8)23(20,21)17-14(19)12-6-10-4-3-5-11(7-12)13(10)18/h10-12H,3-7H2,1-2H3,(H,17,19)
InChIKeyZXRRYIVPSNQAEA-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.96
Rot. Bonds3

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 91643893) has the molecular formula C15H20N2O4S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
PubChem CID91643893
Molecular FormulaC15H20N2O4S2
Molecular Weight356.47 g/mol
Exact Mass356.09
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCc1nc(C)c(S(=O)(=O)NC(=O)C2CC3CCCC(C2)C3=O)s1
InChIInChI=1S/C15H20N2O4S2/c1-8-15(22-9(2)16-8)23(20,21)17-14(19)12-6-10-4-3-5-11(7-12)13(10)18/h10-12H,3-7H2,1-2H3,(H,17,19)
InChIKeyZXRRYIVPSNQAEA-UHFFFAOYSA-N
XLogP1.96
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopent-3-ene-1-carboxamide
CID 71981730
2,2-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide
CID 71981736
trans-(1R,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 99630404
N-isoquinolin-5-ylsulfonyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 102556813
N-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 67393352
2,4-dimethyl-N-(2-methylpiperidin-4-yl)-1,3-thiazole-5-sulfonamide;hydrochloride
CID 120585619
9-oxo-N-(1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 5067003
(2S,3S)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 96824698
N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-3-methylthiophene-2-carboxamide
CID 71981731
(1R,5S)-N-(3,5-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 9097108
N-cycloheptyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 16616544
(1R,5S)-N-(2,6-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 51544633

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide (CID 91643893) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide is Cc1nc(C)c(S(=O)(=O)NC(=O)C2CC3CCCC(C2)C3=O)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is ZXRRYIVPSNQAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S2/c1-8-15(22-9(2)16-8)23(20,21)17-14(19)12-6-10-4-3-5-11(7-12)13(10)18/h10-12H,3-7H2,1-2H3,(H,17,19).
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 91643893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).