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

C13H19N3O4S2 — CID 97420122

IUPACN-[(5R,9R)-2-(1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCO[C@]2(CCN(C(=O)c3cscn3)C2)C1
InChIInChI=1S/C13H19N3O4S2/c1-22(18,19)15-10-2-5-20-13(6-10)3-4-16(8-13)12(17)11-7-21-9-14-11/h7,9-10,15H,2-6,8H2,1H3/t10-,13-/m1/s1
InChIKeyDZNFIHQLQWBUAT-ZWNOBZJWSA-N
MW345.45 g/mol
LogP0.46
Rot. Bonds3

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

N-[(5R,9R)-2-(1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide (PubChem CID 97420122) has the molecular formula C13H19N3O4S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[(5R,9R)-2-(1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(5R,9R)-2-(1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
PubChem CID97420122
Molecular FormulaC13H19N3O4S2
Molecular Weight345.45 g/mol
Exact Mass345.08
IUPAC NameN-[(5R,9R)-2-(1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCO[C@]2(CCN(C(=O)c3cscn3)C2)C1
InChIInChI=1S/C13H19N3O4S2/c1-22(18,19)15-10-2-5-20-13(6-10)3-4-16(8-13)12(17)11-7-21-9-14-11/h7,9-10,15H,2-6,8H2,1H3/t10-,13-/m1/s1
InChIKeyDZNFIHQLQWBUAT-ZWNOBZJWSA-N
XLogP0.46
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.46
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-(1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
The IUPAC name of N-[(5R,9R)-2-(1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide (CID 97420122) is N-[(5R,9R)-2-(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-(1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
The canonical SMILES for N-[(5R,9R)-2-(1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide is CS(=O)(=O)N[C@@H]1CCO[C@]2(CCN(C(=O)c3cscn3)C2)C1.
What is the InChIKey of N-[(5R,9R)-2-(1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
The InChIKey is DZNFIHQLQWBUAT-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H19N3O4S2/c1-22(18,19)15-10-2-5-20-13(6-10)3-4-16(8-13)12(17)11-7-21-9-14-11/h7,9-10,15H,2-6,8H2,1H3/t10-,13-/m1/s1.
What are the key properties of N-[(5R,9R)-2-(1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide?
N-[(5R,9R)-2-(1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide has a molecular weight of 345.45 g/mol, XLogP of 0.46, 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-(1,3-thiazole-4-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide is sourced from PubChem (CID 97420122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).