(4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide

C14H21N3O3S — CID 97451822

IUPAC(4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESNC(=O)N1CCO[C@]2(CCC[C@H]2COCc2nccs2)C1
InChIInChI=1S/C14H21N3O3S/c15-13(18)17-5-6-20-14(10-17)3-1-2-11(14)8-19-9-12-16-4-7-21-12/h4,7,11H,1-3,5-6,8-10H2,(H2,15,18)/t11-,14+/m0/s1
InChIKeyJCSZBAQSBUNDQU-SMDDNHRTSA-N
MW311.41 g/mol
LogP1.61
Rot. Bonds4

About (4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide

(4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide (PubChem CID 97451822) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is (4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound Name(4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
PubChem CID97451822
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name(4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESNC(=O)N1CCO[C@]2(CCC[C@H]2COCc2nccs2)C1
InChIInChI=1S/C14H21N3O3S/c15-13(18)17-5-6-20-14(10-17)3-1-2-11(14)8-19-9-12-16-4-7-21-12/h4,7,11H,1-3,5-6,8-10H2,(H2,15,18)/t11-,14+/m0/s1
InChIKeyJCSZBAQSBUNDQU-SMDDNHRTSA-N
XLogP1.61
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S,5S)-4-(ethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane
CID 97375125
(4S,5S)-N-propan-2-yl-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide;2,2,2-trifluoroacetic acid
CID 155860196
3-methoxy-1-[(4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]propan-1-one
CID 97451820
(4S,5S)-N-propan-2-yl-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97451825
N,N-dimethyl-2-[(4S,5R)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125218439
(4S,5S)-4-(methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane
CID 97375095
(4S,5S)-4-(prop-2-enoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decane
CID 97375140
N,N-dimethyl-2-[(4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 97451811
1-[(4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 97451814
cyclopropyl-[(4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97451815
cyclobutyl-[(4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97451817
2-cyclopropyl-1-[(4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 97451819

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The IUPAC name of (4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide (CID 97451822) is (4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for (4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for (4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide is NC(=O)N1CCO[C@]2(CCC[C@H]2COCc2nccs2)C1.
What is the InChIKey of (4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The InChIKey is JCSZBAQSBUNDQU-SMDDNHRTSA-N. The full InChI is InChI=1S/C14H21N3O3S/c15-13(18)17-5-6-20-14(10-17)3-1-2-11(14)8-19-9-12-16-4-7-21-12/h4,7,11H,1-3,5-6,8-10H2,(H2,15,18)/t11-,14+/m0/s1.
What are the key properties of (4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
(4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 97451822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).