(2R,5R,6S)-N-(cyclopropylmethyl)-6-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide

C18H27N3O2S — CID 97383913

IUPAC(2R,5R,6S)-N-(cyclopropylmethyl)-6-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
SMILESC[C@H]1CN(Cc2nccs2)CC[C@]12CC[C@H](C(=O)NCC1CC1)O2
InChIInChI=1S/C18H27N3O2S/c1-13-11-21(12-16-19-7-9-24-16)8-6-18(13)5-4-15(23-18)17(22)20-10-14-2-3-14/h7,9,13-15H,2-6,8,10-12H2,1H3,(H,20,22)/t13-,15+,18+/m0/s1
InChIKeyLCUJMVXEUJGKKG-JCKWVBRZSA-N
MW349.50 g/mol
LogP2.43
Rot. Bonds5

About (2R,5R,6S)-N-(cyclopropylmethyl)-6-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide

(2R,5R,6S)-N-(cyclopropylmethyl)-6-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (PubChem CID 97383913) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is (2R,5R,6S)-N-(cyclopropylmethyl)-6-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(2R,5R,6S)-N-(cyclopropylmethyl)-6-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
PubChem CID97383913
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name(2R,5R,6S)-N-(cyclopropylmethyl)-6-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
SMILESC[C@H]1CN(Cc2nccs2)CC[C@]12CC[C@H](C(=O)NCC1CC1)O2
InChIInChI=1S/C18H27N3O2S/c1-13-11-21(12-16-19-7-9-24-16)8-6-18(13)5-4-15(23-18)17(22)20-10-14-2-3-14/h7,9,13-15H,2-6,8,10-12H2,1H3,(H,20,22)/t13-,15+,18+/m0/s1
InChIKeyLCUJMVXEUJGKKG-JCKWVBRZSA-N
XLogP2.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,5R,6S)-N-(cyclopropylmethyl)-8-[(4-methoxyphenyl)methyl]-6-methyl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97383921
(5R,6R)-N-(cyclopropylmethyl)-6-methyl-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 134690499
(2S,3aR,7aR)-N-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124781304
(2S,3aS,7aR)-N-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155845032
2-N-(cyclopropylmethyl)-6-methyl-8-N-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
CID 131653413
(2R,5R,6S)-2-N-(cyclopropylmethyl)-8-N-(2-ethylphenyl)-6-methyl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
CID 98780646
(2S,3aR,6aR)-N-(oxan-4-ylmethyl)-4-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-2-carboxamide
CID 97378341
(6R)-N-[2-(dimethylamino)ethyl]-1'-(1,3-thiazol-2-ylmethyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97401299
N-(cyclopropylmethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155851097
methyl (3S)-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxylate
CID 115384916
N-(cyclopropylmethyl)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 134076793
N-(cyclopropylmethyl)-2-[(1R)-1'-(1,3-thiazol-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375799

Frequently Asked Questions

What is the IUPAC name of (2R,5R,6S)-N-(cyclopropylmethyl)-6-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (2R,5R,6S)-N-(cyclopropylmethyl)-6-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (CID 97383913) is (2R,5R,6S)-N-(cyclopropylmethyl)-6-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (2R,5R,6S)-N-(cyclopropylmethyl)-6-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (2R,5R,6S)-N-(cyclopropylmethyl)-6-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is C[C@H]1CN(Cc2nccs2)CC[C@]12CC[C@H](C(=O)NCC1CC1)O2.
What is the InChIKey of (2R,5R,6S)-N-(cyclopropylmethyl)-6-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is LCUJMVXEUJGKKG-JCKWVBRZSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-13-11-21(12-16-19-7-9-24-16)8-6-18(13)5-4-15(23-18)17(22)20-10-14-2-3-14/h7,9,13-15H,2-6,8,10-12H2,1H3,(H,20,22)/t13-,15+,18+/m0/s1.
What are the key properties of (2R,5R,6S)-N-(cyclopropylmethyl)-6-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
(2R,5R,6S)-N-(cyclopropylmethyl)-6-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 349.50 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R,6S)-N-(cyclopropylmethyl)-6-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 97383913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).