[(3R)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone

C17H24N2O3S — CID 97418203

IUPAC[(3R)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC2(CC1)CO[C@@H](COCC1CC1)C2
InChIInChI=1S/C17H24N2O3S/c20-16(15-10-23-12-18-15)19-5-3-17(4-6-19)7-14(22-11-17)9-21-8-13-1-2-13/h10,12-14H,1-9,11H2/t14-/m1/s1
InChIKeyKILDSNBCDHUATK-CQSZACIVSA-N
MW336.46 g/mol
LogP2.58
Rot. Bonds5

About [(3R)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone

[(3R)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 97418203) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is [(3R)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID97418203
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name[(3R)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC2(CC1)CO[C@@H](COCC1CC1)C2
InChIInChI=1S/C17H24N2O3S/c20-16(15-10-23-12-18-15)19-5-3-17(4-6-19)7-14(22-11-17)9-21-8-13-1-2-13/h10,12-14H,1-9,11H2/t14-/m1/s1
InChIKeyKILDSNBCDHUATK-CQSZACIVSA-N
XLogP2.58
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(3R)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone (CID 97418203) is [(3R)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(3R)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCC2(CC1)CO[C@@H](COCC1CC1)C2.
What is the InChIKey of [(3R)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is KILDSNBCDHUATK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N2O3S/c20-16(15-10-23-12-18-15)19-5-3-17(4-6-19)7-14(22-11-17)9-21-8-13-1-2-13/h10,12-14H,1-9,11H2/t14-/m1/s1.
What are the key properties of [(3R)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone?
[(3R)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 336.46 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 97418203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).