N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide

C17H23N3O3S — CID 167796502

IUPACN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide
SMILESCC1(C)CC(=O)c2sc(NC(=O)C3NCC34CCOCC4)nc2C1
InChIInChI=1S/C17H23N3O3S/c1-16(2)7-10-12(11(21)8-16)24-15(19-10)20-14(22)13-17(9-18-13)3-5-23-6-4-17/h13,18H,3-9H2,1-2H3,(H,19,20,22)
InChIKeyDCGMYNNURFXYSK-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.01
Rot. Bonds2

About N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide

N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide (PubChem CID 167796502) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide.

Molecular Properties

Compound NameN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide
PubChem CID167796502
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide
SMILESCC1(C)CC(=O)c2sc(NC(=O)C3NCC34CCOCC4)nc2C1
InChIInChI=1S/C17H23N3O3S/c1-16(2)7-10-12(11(21)8-16)24-15(19-10)20-14(22)13-17(9-18-13)3-5-23-6-4-17/h13,18H,3-9H2,1-2H3,(H,19,20,22)
InChIKeyDCGMYNNURFXYSK-UHFFFAOYSA-N
XLogP2.01
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide?
The IUPAC name of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide (CID 167796502) is N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide.
What is the SMILES notation for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide?
The canonical SMILES for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide is CC1(C)CC(=O)c2sc(NC(=O)C3NCC34CCOCC4)nc2C1.
What is the InChIKey of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide?
The InChIKey is DCGMYNNURFXYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-16(2)7-10-12(11(21)8-16)24-15(19-10)20-14(22)13-17(9-18-13)3-5-23-6-4-17/h13,18H,3-9H2,1-2H3,(H,19,20,22).
What are the key properties of N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide?
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-7-oxa-2-azaspiro[3.5]nonane-3-carboxamide is sourced from PubChem (CID 167796502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).