(3S)-3-(cyclopropylmethoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxa-8-azaspiro[4.5]decane

C18H28N2O2S — CID 97476713

IUPAC(3S)-3-(cyclopropylmethoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxa-8-azaspiro[4.5]decane
SMILESCc1ncsc1CN1CCC2(CC1)CO[C@H](COCC1CC1)C2
InChIInChI=1S/C18H28N2O2S/c1-14-17(23-13-19-14)9-20-6-4-18(5-7-20)8-16(22-12-18)11-21-10-15-2-3-15/h13,15-16H,2-12H2,1H3/t16-/m0/s1
InChIKeyKIHXYHORCFKSKI-INIZCTEOSA-N
MW336.50 g/mol
LogP3.25
Rot. Bonds6

About (3S)-3-(cyclopropylmethoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxa-8-azaspiro[4.5]decane

(3S)-3-(cyclopropylmethoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxa-8-azaspiro[4.5]decane (PubChem CID 97476713) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is (3S)-3-(cyclopropylmethoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-3-(cyclopropylmethoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxa-8-azaspiro[4.5]decane
PubChem CID97476713
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name(3S)-3-(cyclopropylmethoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxa-8-azaspiro[4.5]decane
SMILESCc1ncsc1CN1CCC2(CC1)CO[C@H](COCC1CC1)C2
InChIInChI=1S/C18H28N2O2S/c1-14-17(23-13-19-14)9-20-6-4-18(5-7-20)8-16(22-12-18)11-21-10-15-2-3-15/h13,15-16H,2-12H2,1H3/t16-/m0/s1
InChIKeyKIHXYHORCFKSKI-INIZCTEOSA-N
XLogP3.25
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155850077
(3R)-3-(cyclopropylmethoxymethyl)-8-pyrimidin-2-yl-2-oxa-8-azaspiro[4.5]decane
CID 97418195
(4aR,8aR)-4a-(cyclopropylmethoxymethyl)-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 124519736
(4aS,8aS)-4a-(cyclopropylmethoxymethyl)-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 98810685
[(3R)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-4-yl)methanone
CID 97418203
(3R)-8-(furan-3-ylmethyl)-3-(oxan-4-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97418289
1-[(3S)-3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-phenoxyethanone
CID 97418240
[3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylphenyl)methanone
CID 131648091
(3R)-3-(pyridin-4-ylmethoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 97486150
1-[4-hydroxy-3,3-dimethyl-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 155987928
[3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyrrolidin-1-ylmethanone
CID 131654766
4-methyl-5-[[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 110114381

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(cyclopropylmethoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3S)-3-(cyclopropylmethoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxa-8-azaspiro[4.5]decane (CID 97476713) is (3S)-3-(cyclopropylmethoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3S)-3-(cyclopropylmethoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3S)-3-(cyclopropylmethoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxa-8-azaspiro[4.5]decane is Cc1ncsc1CN1CCC2(CC1)CO[C@H](COCC1CC1)C2.
What is the InChIKey of (3S)-3-(cyclopropylmethoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is KIHXYHORCFKSKI-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-14-17(23-13-19-14)9-20-6-4-18(5-7-20)8-16(22-12-18)11-21-10-15-2-3-15/h13,15-16H,2-12H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-3-(cyclopropylmethoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxa-8-azaspiro[4.5]decane?
(3S)-3-(cyclopropylmethoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 336.50 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(cyclopropylmethoxymethyl)-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97476713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).