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

C14H21N3O4S2 — CID 97420139

IUPACN-[(5R,9R)-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-/m1/s1
InChIKeyYQKFONIVKLYAOO-BXUZGUMPSA-N
MW359.47 g/mol
LogP0.76
Rot. Bonds3

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

N-[(5R,9R)-2-(2-methyl-1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide (PubChem CID 97420139) has the molecular formula C14H21N3O4S2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[(5R,9R)-2-(2-methyl-1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(5R,9R)-2-(2-methyl-1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
PubChem CID97420139
Molecular FormulaC14H21N3O4S2
Molecular Weight359.47 g/mol
Exact Mass359.10
IUPAC NameN-[(5R,9R)-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-/m1/s1
InChIKeyYQKFONIVKLYAOO-BXUZGUMPSA-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

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Frequently Asked Questions

What is the IUPAC name of N-[(5R,9R)-2-(2-methyl-1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
The IUPAC name of N-[(5R,9R)-2-(2-methyl-1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide (CID 97420139) is N-[(5R,9R)-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,9R)-2-(2-methyl-1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
The canonical SMILES for N-[(5R,9R)-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,9R)-2-(2-methyl-1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
The InChIKey is YQKFONIVKLYAOO-BXUZGUMPSA-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-/m1/s1.
What are the key properties of N-[(5R,9R)-2-(2-methyl-1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
N-[(5R,9R)-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,9R)-2-(2-methyl-1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide is sourced from PubChem (CID 97420139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).