3-(cyclopropylmethoxy)-9-(1,3,4-thiadiazol-2-yl)-1-oxa-9-azaspiro[4.5]decane

C14H21N3O2S — CID 131652504

IUPAC3-(cyclopropylmethoxy)-9-(1,3,4-thiadiazol-2-yl)-1-oxa-9-azaspiro[4.5]decane
SMILESc1nnc(N2CCCC3(CC(OCC4CC4)CO3)C2)s1
InChIInChI=1S/C14H21N3O2S/c1-4-14(9-17(5-1)13-16-15-10-20-13)6-12(8-19-14)18-7-11-2-3-11/h10-12H,1-9H2
InChIKeyXKOUYQLVMXLDFN-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.09
Rot. Bonds4

About 3-(cyclopropylmethoxy)-9-(1,3,4-thiadiazol-2-yl)-1-oxa-9-azaspiro[4.5]decane

3-(cyclopropylmethoxy)-9-(1,3,4-thiadiazol-2-yl)-1-oxa-9-azaspiro[4.5]decane (PubChem CID 131652504) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-9-(1,3,4-thiadiazol-2-yl)-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-9-(1,3,4-thiadiazol-2-yl)-1-oxa-9-azaspiro[4.5]decane
PubChem CID131652504
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name3-(cyclopropylmethoxy)-9-(1,3,4-thiadiazol-2-yl)-1-oxa-9-azaspiro[4.5]decane
SMILESc1nnc(N2CCCC3(CC(OCC4CC4)CO3)C2)s1
InChIInChI=1S/C14H21N3O2S/c1-4-14(9-17(5-1)13-16-15-10-20-13)6-12(8-19-14)18-7-11-2-3-11/h10-12H,1-9H2
InChIKeyXKOUYQLVMXLDFN-UHFFFAOYSA-N
XLogP2.09
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,5R)-3-ethoxy-9-(1,3,4-thiadiazol-2-yl)-1-oxa-9-azaspiro[4.5]decane
CID 97489643
(3S,5S)-3-(cyclopropylmethoxy)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane
CID 124521959
(3S,5S)-3-(cyclopropylmethoxy)-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
CID 97419713
[(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
CID 97419485
(3R,5S)-3-(cyclopropylmethoxy)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
CID 97485654
(3S,5S)-9-(furan-3-ylmethyl)-3-(oxan-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane
CID 97475120
(3S,5R)-3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-sulfonamide
CID 124802411
[(3S,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methyl-2-pyridinyl)methanone
CID 124792191
2-[9-(cyclopropylmethoxy)-3-azabicyclo[3.3.1]nonan-3-yl]-1,3,4-thiadiazole
CID 131649067
(3S)-3-(cyclopropylmethoxy)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 97477123
(3S,5R)-3-ethoxy-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane
CID 97489632
cyclobutyl-[8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
CID 131650043

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-9-(1,3,4-thiadiazol-2-yl)-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 3-(cyclopropylmethoxy)-9-(1,3,4-thiadiazol-2-yl)-1-oxa-9-azaspiro[4.5]decane (CID 131652504) is 3-(cyclopropylmethoxy)-9-(1,3,4-thiadiazol-2-yl)-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 3-(cyclopropylmethoxy)-9-(1,3,4-thiadiazol-2-yl)-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 3-(cyclopropylmethoxy)-9-(1,3,4-thiadiazol-2-yl)-1-oxa-9-azaspiro[4.5]decane is c1nnc(N2CCCC3(CC(OCC4CC4)CO3)C2)s1.
What is the InChIKey of 3-(cyclopropylmethoxy)-9-(1,3,4-thiadiazol-2-yl)-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is XKOUYQLVMXLDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-4-14(9-17(5-1)13-16-15-10-20-13)6-12(8-19-14)18-7-11-2-3-11/h10-12H,1-9H2.
What are the key properties of 3-(cyclopropylmethoxy)-9-(1,3,4-thiadiazol-2-yl)-1-oxa-9-azaspiro[4.5]decane?
3-(cyclopropylmethoxy)-9-(1,3,4-thiadiazol-2-yl)-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 295.41 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-9-(1,3,4-thiadiazol-2-yl)-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 131652504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).