N-[(5R,9R)-2-(4-methyl-1,3-oxazole-5-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide

C14H21N3O5S — CID 97420140

IUPACN-[(5R,9R)-2-(4-methyl-1,3-oxazole-5-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
SMILESCc1ncoc1C(=O)N1CC[C@@]2(C[C@H](NS(C)(=O)=O)CCO2)C1
InChIInChI=1S/C14H21N3O5S/c1-10-12(21-9-15-10)13(18)17-5-4-14(8-17)7-11(3-6-22-14)16-23(2,19)20/h9,11,16H,3-8H2,1-2H3/t11-,14-/m1/s1
InChIKeyMYSDUFGYKIMACP-BXUZGUMPSA-N
MW343.41 g/mol
LogP0.30
Rot. Bonds3

About N-[(5R,9R)-2-(4-methyl-1,3-oxazole-5-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide

N-[(5R,9R)-2-(4-methyl-1,3-oxazole-5-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide (PubChem CID 97420140) has the molecular formula C14H21N3O5S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[(5R,9R)-2-(4-methyl-1,3-oxazole-5-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(5R,9R)-2-(4-methyl-1,3-oxazole-5-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
PubChem CID97420140
Molecular FormulaC14H21N3O5S
Molecular Weight343.41 g/mol
Exact Mass343.12
IUPAC NameN-[(5R,9R)-2-(4-methyl-1,3-oxazole-5-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
SMILESCc1ncoc1C(=O)N1CC[C@@]2(C[C@H](NS(C)(=O)=O)CCO2)C1
InChIInChI=1S/C14H21N3O5S/c1-10-12(21-9-15-10)13(18)17-5-4-14(8-17)7-11(3-6-22-14)16-23(2,19)20/h9,11,16H,3-8H2,1-2H3/t11-,14-/m1/s1
InChIKeyMYSDUFGYKIMACP-BXUZGUMPSA-N
XLogP0.30
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5R,9R)-2-(4-methyl-1,3-oxazole-5-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5R,9R)-2-(4-methyl-1,3-oxazole-5-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
The IUPAC name of N-[(5R,9R)-2-(4-methyl-1,3-oxazole-5-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide (CID 97420140) is N-[(5R,9R)-2-(4-methyl-1,3-oxazole-5-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide.
What is the SMILES notation for N-[(5R,9R)-2-(4-methyl-1,3-oxazole-5-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
The canonical SMILES for N-[(5R,9R)-2-(4-methyl-1,3-oxazole-5-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide is Cc1ncoc1C(=O)N1CC[C@@]2(C[C@H](NS(C)(=O)=O)CCO2)C1.
What is the InChIKey of N-[(5R,9R)-2-(4-methyl-1,3-oxazole-5-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
The InChIKey is MYSDUFGYKIMACP-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H21N3O5S/c1-10-12(21-9-15-10)13(18)17-5-4-14(8-17)7-11(3-6-22-14)16-23(2,19)20/h9,11,16H,3-8H2,1-2H3/t11-,14-/m1/s1.
What are the key properties of N-[(5R,9R)-2-(4-methyl-1,3-oxazole-5-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
N-[(5R,9R)-2-(4-methyl-1,3-oxazole-5-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R,9R)-2-(4-methyl-1,3-oxazole-5-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide is sourced from PubChem (CID 97420140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).