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

C14H21N3O4S2 — CID 97420113

IUPACN-[(5R,9S)-2-(2-methyl-1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
SMILESCc1nc(C(=O)N2CC[C@@]3(C[C@@H](NS(C)(=O)=O)CCO3)C2)cs1
InChIInChI=1S/C14H21N3O4S2/c1-10-15-12(8-22-10)13(18)17-5-4-14(9-17)7-11(3-6-21-14)16-23(2,19)20/h8,11,16H,3-7,9H2,1-2H3/t11-,14+/m0/s1
InChIKeyYQKFONIVKLYAOO-SMDDNHRTSA-N
MW359.47 g/mol
LogP0.76
Rot. Bonds3

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

N-[(5R,9S)-2-(2-methyl-1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide (PubChem CID 97420113) has the molecular formula C14H21N3O4S2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[(5R,9S)-2-(2-methyl-1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(5R,9S)-2-(2-methyl-1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
PubChem CID97420113
Molecular FormulaC14H21N3O4S2
Molecular Weight359.47 g/mol
Exact Mass359.10
IUPAC NameN-[(5R,9S)-2-(2-methyl-1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
SMILESCc1nc(C(=O)N2CC[C@@]3(C[C@@H](NS(C)(=O)=O)CCO3)C2)cs1
InChIInChI=1S/C14H21N3O4S2/c1-10-15-12(8-22-10)13(18)17-5-4-14(9-17)7-11(3-6-21-14)16-23(2,19)20/h8,11,16H,3-7,9H2,1-2H3/t11-,14+/m0/s1
InChIKeyYQKFONIVKLYAOO-SMDDNHRTSA-N
XLogP0.76
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[(5R,9R)-2-(1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
CID 97420122
N-[(5R,9R)-2-(2-methyl-1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
CID 97420139
N-[(3S,3aS,7aR)-1-(1,3-thiazole-4-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]methanesulfonamide
CID 98777540
2-methylsulfanyl-N-[(8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 126462653
N-[[8-(cyclohexylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 45189315
N-1-oxaspiro[4.5]dec-3-yl-1,3-thiazole-4-carboxamide
CID 45193874
N-[[1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]methanesulfonamide
CID 48594487
N-1-oxaspiro[4.4]non-3-yl-2-propyl-1,3-thiazole-4-carboxamide
CID 72926493
N-(2,2-diethyloxan-4-yl)-1,3-thiazole-4-carboxamide
CID 82760720
2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-1,3-thiazole-4-carboxamide
CID 83028924
2-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-1,3-thiazole-4-carboxamide
CID 83032763
2-(1-aminoethyl)-N-(2,2-dimethyloxan-4-yl)-1,3-thiazole-4-carboxamide
CID 83033855

Frequently Asked Questions

What is the IUPAC name of N-[(5R,9S)-2-(2-methyl-1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
The IUPAC name of N-[(5R,9S)-2-(2-methyl-1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide (CID 97420113) is N-[(5R,9S)-2-(2-methyl-1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide.
What is the SMILES notation for N-[(5R,9S)-2-(2-methyl-1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
The canonical SMILES for N-[(5R,9S)-2-(2-methyl-1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide is Cc1nc(C(=O)N2CC[C@@]3(C[C@@H](NS(C)(=O)=O)CCO3)C2)cs1.
What is the InChIKey of N-[(5R,9S)-2-(2-methyl-1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
The InChIKey is YQKFONIVKLYAOO-SMDDNHRTSA-N. The full InChI is InChI=1S/C14H21N3O4S2/c1-10-15-12(8-22-10)13(18)17-5-4-14(9-17)7-11(3-6-21-14)16-23(2,19)20/h8,11,16H,3-7,9H2,1-2H3/t11-,14+/m0/s1.
What are the key properties of N-[(5R,9S)-2-(2-methyl-1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
N-[(5R,9S)-2-(2-methyl-1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide has a molecular weight of 359.47 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R,9S)-2-(2-methyl-1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide is sourced from PubChem (CID 97420113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).