cyclobutyl-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone

C15H22N4O2S — CID 131650043

IUPACcyclobutyl-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
SMILESO=C(C1CCC1)N1CCOC2(CCCN(c3nncs3)C2)C1
InChIInChI=1S/C15H22N4O2S/c20-13(12-3-1-4-12)18-7-8-21-15(9-18)5-2-6-19(10-15)14-17-16-11-22-14/h11-12H,1-10H2
InChIKeyTXRPGWJBBKUQCY-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.54
Rot. Bonds2

About cyclobutyl-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone

cyclobutyl-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone (PubChem CID 131650043) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is cyclobutyl-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
PubChem CID131650043
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Namecyclobutyl-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
SMILESO=C(C1CCC1)N1CCOC2(CCCN(c3nncs3)C2)C1
InChIInChI=1S/C15H22N4O2S/c20-13(12-3-1-4-12)18-7-8-21-15(9-18)5-2-6-19(10-15)14-17-16-11-22-14/h11-12H,1-10H2
InChIKeyTXRPGWJBBKUQCY-UHFFFAOYSA-N
XLogP1.54
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
CID 131685263
pyridin-4-yl-[(6R)-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
CID 97492317
(6-methyl-3-pyridinyl)-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
CID 155872120
(3-chlorophenyl)-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
CID 155872135
4-(pyridin-4-ylmethyl)-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131654381
8-(1,3,4-thiadiazol-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131645665
(6R)-8-(1,3,4-thiadiazol-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492307
8-(1,3,4-thiadiazol-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 155855181
pyrrolidin-1-yl-[5-(1,3,4-thiadiazol-2-yl)-5-azaspiro[2.4]heptan-2-yl]methanone
CID 131654574
[(6S)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone
CID 97492362
(9-amino-1-oxa-4-azaspiro[5.5]undecan-4-yl)-cyclobutylmethanone
CID 165470181
pyrazin-2-yl-[8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
CID 134072513

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone?
The IUPAC name of cyclobutyl-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone (CID 131650043) is cyclobutyl-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone.
What is the SMILES notation for cyclobutyl-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone?
The canonical SMILES for cyclobutyl-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone is O=C(C1CCC1)N1CCOC2(CCCN(c3nncs3)C2)C1.
What is the InChIKey of cyclobutyl-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone?
The InChIKey is TXRPGWJBBKUQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c20-13(12-3-1-4-12)18-7-8-21-15(9-18)5-2-6-19(10-15)14-17-16-11-22-14/h11-12H,1-10H2.
What are the key properties of cyclobutyl-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone?
cyclobutyl-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone has a molecular weight of 322.43 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone is sourced from PubChem (CID 131650043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).