N-[[(7R)-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide

C14H23N3O3S2 — CID 124895176

IUPACN-[[(7R)-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC[C@H]1CCC2(CN(Cc3nccs3)C2)OC1
InChIInChI=1S/C14H23N3O3S2/c1-2-22(18,19)16-7-12-3-4-14(20-9-12)10-17(11-14)8-13-15-5-6-21-13/h5-6,12,16H,2-4,7-11H2,1H3/t12-/m1/s1
InChIKeyCDDUJKGNAFUEGQ-GFCCVEGCSA-N
MW345.49 g/mol
LogP1.06
Rot. Bonds6

About N-[[(7R)-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide

N-[[(7R)-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide (PubChem CID 124895176) has the molecular formula C14H23N3O3S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[[(7R)-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[(7R)-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide
PubChem CID124895176
Molecular FormulaC14H23N3O3S2
Molecular Weight345.49 g/mol
Exact Mass345.12
IUPAC NameN-[[(7R)-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC[C@H]1CCC2(CN(Cc3nccs3)C2)OC1
InChIInChI=1S/C14H23N3O3S2/c1-2-22(18,19)16-7-12-3-4-14(20-9-12)10-17(11-14)8-13-15-5-6-21-13/h5-6,12,16H,2-4,7-11H2,1H3/t12-/m1/s1
InChIKeyCDDUJKGNAFUEGQ-GFCCVEGCSA-N
XLogP1.06
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(7R)-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide?
The IUPAC name of N-[[(7R)-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide (CID 124895176) is N-[[(7R)-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[(7R)-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[(7R)-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide is CCS(=O)(=O)NC[C@H]1CCC2(CN(Cc3nccs3)C2)OC1.
What is the InChIKey of N-[[(7R)-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide?
The InChIKey is CDDUJKGNAFUEGQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N3O3S2/c1-2-22(18,19)16-7-12-3-4-14(20-9-12)10-17(11-14)8-13-15-5-6-21-13/h5-6,12,16H,2-4,7-11H2,1H3/t12-/m1/s1.
What are the key properties of N-[[(7R)-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide?
N-[[(7R)-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide has a molecular weight of 345.49 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(7R)-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 124895176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).