N-[2-oxo-2-[(6R)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethyl]acetamide

C15H23N5O3S — CID 97398378

IUPACN-[2-oxo-2-[(6R)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC[C@@]2(COCCN(c3nncs3)C2)C1
InChIInChI=1S/C15H23N5O3S/c1-12(21)16-7-13(22)19-4-2-3-15(8-19)9-20(5-6-23-10-15)14-18-17-11-24-14/h11H,2-10H2,1H3,(H,16,21)/t15-/m1/s1
InChIKeyXCDGWQCTUNDMFK-OAHLLOKOSA-N
MW353.45 g/mol
LogP0.12
Rot. Bonds3

About N-[2-oxo-2-[(6R)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethyl]acetamide

N-[2-oxo-2-[(6R)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethyl]acetamide (PubChem CID 97398378) has the molecular formula C15H23N5O3S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[2-oxo-2-[(6R)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-oxo-2-[(6R)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethyl]acetamide
PubChem CID97398378
Molecular FormulaC15H23N5O3S
Molecular Weight353.45 g/mol
Exact Mass353.15
IUPAC NameN-[2-oxo-2-[(6R)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC[C@@]2(COCCN(c3nncs3)C2)C1
InChIInChI=1S/C15H23N5O3S/c1-12(21)16-7-13(22)19-4-2-3-15(8-19)9-20(5-6-23-10-15)14-18-17-11-24-14/h11H,2-10H2,1H3,(H,16,21)/t15-/m1/s1
InChIKeyXCDGWQCTUNDMFK-OAHLLOKOSA-N
XLogP0.12
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(6R)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-oxo-2-[(6R)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethyl]acetamide (CID 97398378) is N-[2-oxo-2-[(6R)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-oxo-2-[(6R)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-oxo-2-[(6R)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethyl]acetamide is CC(=O)NCC(=O)N1CCC[C@@]2(COCCN(c3nncs3)C2)C1.
What is the InChIKey of N-[2-oxo-2-[(6R)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethyl]acetamide?
The InChIKey is XCDGWQCTUNDMFK-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H23N5O3S/c1-12(21)16-7-13(22)19-4-2-3-15(8-19)9-20(5-6-23-10-15)14-18-17-11-24-14/h11H,2-10H2,1H3,(H,16,21)/t15-/m1/s1.
What are the key properties of N-[2-oxo-2-[(6R)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethyl]acetamide?
N-[2-oxo-2-[(6R)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethyl]acetamide has a molecular weight of 353.45 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[(6R)-11-(1,3,4-thiadiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]ethyl]acetamide is sourced from PubChem (CID 97398378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).