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

C14H21N3O5S — CID 124912808

IUPACN-[(5S,9R)-2-(3-methyl-1,2-oxazole-5-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
SMILESCc1cc(C(=O)N2CC[C@]3(C[C@H](NS(C)(=O)=O)CCO3)C2)on1
InChIInChI=1S/C14H21N3O5S/c1-10-7-12(22-15-10)13(18)17-5-4-14(9-17)8-11(3-6-21-14)16-23(2,19)20/h7,11,16H,3-6,8-9H2,1-2H3/t11-,14+/m1/s1
InChIKeyKNFPCBUFYZMQNB-RISCZKNCSA-N
MW343.41 g/mol
LogP0.30
Rot. Bonds3

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

N-[(5S,9R)-2-(3-methyl-1,2-oxazole-5-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide (PubChem CID 124912808) has the molecular formula C14H21N3O5S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[(5S,9R)-2-(3-methyl-1,2-oxazole-5-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(5S,9R)-2-(3-methyl-1,2-oxazole-5-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
PubChem CID124912808
Molecular FormulaC14H21N3O5S
Molecular Weight343.41 g/mol
Exact Mass343.12
IUPAC NameN-[(5S,9R)-2-(3-methyl-1,2-oxazole-5-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
SMILESCc1cc(C(=O)N2CC[C@]3(C[C@H](NS(C)(=O)=O)CCO3)C2)on1
InChIInChI=1S/C14H21N3O5S/c1-10-7-12(22-15-10)13(18)17-5-4-14(9-17)8-11(3-6-21-14)16-23(2,19)20/h7,11,16H,3-6,8-9H2,1-2H3/t11-,14+/m1/s1
InChIKeyKNFPCBUFYZMQNB-RISCZKNCSA-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

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Related Compounds

N-[(5R,9S)-2-(cyclohexene-1-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
CID 97423428
N-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]methanesulfonamide
CID 47184528
N-[9-(pyridine-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
CID 131639126
N-[(5R,9R)-2-(2-thiophen-2-ylacetyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
CID 97420129
N-[(5R,9R)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
CID 97420149
(3-methoxy-1,2-oxazol-5-yl)-[4-(pyrimidin-2-ylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 131685917
(3-methyl-1,2-oxazol-5-yl)-[(8R)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124913132
N-[9-(1-methylcyclohex-3-ene-1-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
CID 131687021
N-[(5S,9S)-2-(2-phenylethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
CID 124782595
N-[(5R,9S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
CID 97420104
N-[(5S,9S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
CID 124809407
(4-hydroxy-4-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 80707380

Frequently Asked Questions

What is the IUPAC name of N-[(5S,9R)-2-(3-methyl-1,2-oxazole-5-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
The IUPAC name of N-[(5S,9R)-2-(3-methyl-1,2-oxazole-5-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide (CID 124912808) is N-[(5S,9R)-2-(3-methyl-1,2-oxazole-5-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide.
What is the SMILES notation for N-[(5S,9R)-2-(3-methyl-1,2-oxazole-5-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
The canonical SMILES for N-[(5S,9R)-2-(3-methyl-1,2-oxazole-5-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide is Cc1cc(C(=O)N2CC[C@]3(C[C@H](NS(C)(=O)=O)CCO3)C2)on1.
What is the InChIKey of N-[(5S,9R)-2-(3-methyl-1,2-oxazole-5-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
The InChIKey is KNFPCBUFYZMQNB-RISCZKNCSA-N. The full InChI is InChI=1S/C14H21N3O5S/c1-10-7-12(22-15-10)13(18)17-5-4-14(9-17)8-11(3-6-21-14)16-23(2,19)20/h7,11,16H,3-6,8-9H2,1-2H3/t11-,14+/m1/s1.
What are the key properties of N-[(5S,9R)-2-(3-methyl-1,2-oxazole-5-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
N-[(5S,9R)-2-(3-methyl-1,2-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-[(5S,9R)-2-(3-methyl-1,2-oxazole-5-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide is sourced from PubChem (CID 124912808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).