N-[(5R,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide

C15H23N3O3S2 — CID 97474406

IUPACN-[(5R,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
SMILESO=S(=O)(N[C@H]1CCO[C@]2(CCN(Cc3nccs3)C2)C1)C1CC1
InChIInChI=1S/C15H23N3O3S2/c19-23(20,13-1-2-13)17-12-3-7-21-15(9-12)4-6-18(11-15)10-14-16-5-8-22-14/h5,8,12-13,17H,1-4,6-7,9-11H2/t12-,15+/m0/s1
InChIKeyKHORXLXSIXPBDT-SWLSCSKDSA-N
MW357.50 g/mol
LogP1.35
Rot. Bonds5

About N-[(5R,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide

N-[(5R,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide (PubChem CID 97474406) has the molecular formula C15H23N3O3S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[(5R,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(5R,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
PubChem CID97474406
Molecular FormulaC15H23N3O3S2
Molecular Weight357.50 g/mol
Exact Mass357.12
IUPAC NameN-[(5R,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide
SMILESO=S(=O)(N[C@H]1CCO[C@]2(CCN(Cc3nccs3)C2)C1)C1CC1
InChIInChI=1S/C15H23N3O3S2/c19-23(20,13-1-2-13)17-12-3-7-21-15(9-12)4-6-18(11-15)10-14-16-5-8-22-14/h5,8,12-13,17H,1-4,6-7,9-11H2/t12-,15+/m0/s1
InChIKeyKHORXLXSIXPBDT-SWLSCSKDSA-N
XLogP1.35
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5R,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide?
The IUPAC name of N-[(5R,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide (CID 97474406) is N-[(5R,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(5R,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[(5R,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide is O=S(=O)(N[C@H]1CCO[C@]2(CCN(Cc3nccs3)C2)C1)C1CC1.
What is the InChIKey of N-[(5R,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide?
The InChIKey is KHORXLXSIXPBDT-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H23N3O3S2/c19-23(20,13-1-2-13)17-12-3-7-21-15(9-12)4-6-18(11-15)10-14-16-5-8-22-14/h5,8,12-13,17H,1-4,6-7,9-11H2/t12-,15+/m0/s1.
What are the key properties of N-[(5R,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide?
N-[(5R,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide has a molecular weight of 357.50 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R,9S)-2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]cyclopropanesulfonamide is sourced from PubChem (CID 97474406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).