(3-ethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(thiadiazol-4-yl)methanone

C12H17N3O2S — CID 131687649

IUPAC(3-ethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(thiadiazol-4-yl)methanone
SMILESCCC1COC2(CCN(C(=O)c3csnn3)C2)C1
InChIInChI=1S/C12H17N3O2S/c1-2-9-5-12(17-6-9)3-4-15(8-12)11(16)10-7-18-14-13-10/h7,9H,2-6,8H2,1H3
InChIKeyVRNHNPCKJJBETJ-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.57
Rot. Bonds2

About (3-ethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(thiadiazol-4-yl)methanone

(3-ethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(thiadiazol-4-yl)methanone (PubChem CID 131687649) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is (3-ethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(thiadiazol-4-yl)methanone
PubChem CID131687649
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name(3-ethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(thiadiazol-4-yl)methanone
SMILESCCC1COC2(CCN(C(=O)c3csnn3)C2)C1
InChIInChI=1S/C12H17N3O2S/c1-2-9-5-12(17-6-9)3-4-15(8-12)11(16)10-7-18-14-13-10/h7,9H,2-6,8H2,1H3
InChIKeyVRNHNPCKJJBETJ-UHFFFAOYSA-N
XLogP1.57
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S,5R)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone
CID 97488610
2-methyl-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
CID 131686661
(3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methylpyrazin-2-yl)methanone
CID 134074893
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-4-yl)methanone
CID 47325499
4-ethyl-1-(thiadiazole-4-carbonyl)piperidine-4-carboxylic acid
CID 65214766
(3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(furan-2-yl)methanone
CID 118741004
[(3S,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone
CID 97395128
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97395135
[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3-hydroxyphenyl)methanone
CID 97488632
[(3S,5S)-3-ethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-[(2R)-oxolan-2-yl]methanone
CID 124914020
[(3R,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone
CID 97485356
(3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 134074955

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(thiadiazol-4-yl)methanone?
The IUPAC name of (3-ethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(thiadiazol-4-yl)methanone (CID 131687649) is (3-ethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(thiadiazol-4-yl)methanone.
What is the SMILES notation for (3-ethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(thiadiazol-4-yl)methanone?
The canonical SMILES for (3-ethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(thiadiazol-4-yl)methanone is CCC1COC2(CCN(C(=O)c3csnn3)C2)C1.
What is the InChIKey of (3-ethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(thiadiazol-4-yl)methanone?
The InChIKey is VRNHNPCKJJBETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-2-9-5-12(17-6-9)3-4-15(8-12)11(16)10-7-18-14-13-10/h7,9H,2-6,8H2,1H3.
What are the key properties of (3-ethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(thiadiazol-4-yl)methanone?
(3-ethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(thiadiazol-4-yl)methanone has a molecular weight of 267.35 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 131687649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).