N-[[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide

C15H25N3O3S2 — CID 131677459

IUPACN-[[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCC2(CN(Cc3scnc3C)C2)OC1
InChIInChI=1S/C15H25N3O3S2/c1-3-23(19,20)17-6-13-4-5-15(21-8-13)9-18(10-15)7-14-12(2)16-11-22-14/h11,13,17H,3-10H2,1-2H3
InChIKeyCMOOGFHDUOQWHM-UHFFFAOYSA-N
MW359.52 g/mol
LogP1.37
Rot. Bonds6

About N-[[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide

N-[[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide (PubChem CID 131677459) has the molecular formula C15H25N3O3S2 and a molecular weight of 359.52 g/mol. Its IUPAC name is N-[[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide
PubChem CID131677459
Molecular FormulaC15H25N3O3S2
Molecular Weight359.52 g/mol
Exact Mass359.13
IUPAC NameN-[[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCC2(CN(Cc3scnc3C)C2)OC1
InChIInChI=1S/C15H25N3O3S2/c1-3-23(19,20)17-6-13-4-5-15(21-8-13)9-18(10-15)7-14-12(2)16-11-22-14/h11,13,17H,3-10H2,1-2H3
InChIKeyCMOOGFHDUOQWHM-UHFFFAOYSA-N
XLogP1.37
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide?
The IUPAC name of N-[[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide (CID 131677459) is N-[[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide is CCS(=O)(=O)NCC1CCC2(CN(Cc3scnc3C)C2)OC1.
What is the InChIKey of N-[[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide?
The InChIKey is CMOOGFHDUOQWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S2/c1-3-23(19,20)17-6-13-4-5-15(21-8-13)9-18(10-15)7-14-12(2)16-11-22-14/h11,13,17H,3-10H2,1-2H3.
What are the key properties of N-[[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide?
N-[[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide has a molecular weight of 359.52 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 131677459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).