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

C17H27N3O3S — CID 97451825

IUPAC(4S,5S)-N-propan-2-yl-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESCC(C)NC(=O)N1CCO[C@]2(CCC[C@H]2COCc2nccs2)C1
InChIInChI=1S/C17H27N3O3S/c1-13(2)19-16(21)20-7-8-23-17(12-20)5-3-4-14(17)10-22-11-15-18-6-9-24-15/h6,9,13-14H,3-5,7-8,10-12H2,1-2H3,(H,19,21)/t14-,17+/m0/s1
InChIKeyCVBYOVYHORICQE-WMLDXEAASA-N
MW353.49 g/mol
LogP2.65
Rot. Bonds5

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

(4S,5S)-N-propan-2-yl-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide (PubChem CID 97451825) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is (4S,5S)-N-propan-2-yl-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound Name(4S,5S)-N-propan-2-yl-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
PubChem CID97451825
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name(4S,5S)-N-propan-2-yl-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESCC(C)NC(=O)N1CCO[C@]2(CCC[C@H]2COCc2nccs2)C1
InChIInChI=1S/C17H27N3O3S/c1-13(2)19-16(21)20-7-8-23-17(12-20)5-3-4-14(17)10-22-11-15-18-6-9-24-15/h6,9,13-14H,3-5,7-8,10-12H2,1-2H3,(H,19,21)/t14-,17+/m0/s1
InChIKeyCVBYOVYHORICQE-WMLDXEAASA-N
XLogP2.65
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-N-propan-2-yl-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The IUPAC name of (4S,5S)-N-propan-2-yl-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide (CID 97451825) is (4S,5S)-N-propan-2-yl-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for (4S,5S)-N-propan-2-yl-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for (4S,5S)-N-propan-2-yl-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide is CC(C)NC(=O)N1CCO[C@]2(CCC[C@H]2COCc2nccs2)C1.
What is the InChIKey of (4S,5S)-N-propan-2-yl-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The InChIKey is CVBYOVYHORICQE-WMLDXEAASA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-13(2)19-16(21)20-7-8-23-17(12-20)5-3-4-14(17)10-22-11-15-18-6-9-24-15/h6,9,13-14H,3-5,7-8,10-12H2,1-2H3,(H,19,21)/t14-,17+/m0/s1.
What are the key properties of (4S,5S)-N-propan-2-yl-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
(4S,5S)-N-propan-2-yl-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-N-propan-2-yl-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 97451825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).