(4S)-N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C16H25N3O2S — CID 97375261

IUPAC(4S)-N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCC(C)NC(=O)[C@@H]1CN(Cc2nccs2)CC12CCOCC2
InChIInChI=1S/C16H25N3O2S/c1-12(2)18-15(20)13-9-19(10-14-17-5-8-22-14)11-16(13)3-6-21-7-4-16/h5,8,12-13H,3-4,6-7,9-11H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyPEFGURDFOWEWAW-ZDUSSCGKSA-N
MW323.46 g/mol
LogP1.90
Rot. Bonds4

About (4S)-N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

(4S)-N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 97375261) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is (4S)-N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID97375261
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name(4S)-N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCC(C)NC(=O)[C@@H]1CN(Cc2nccs2)CC12CCOCC2
InChIInChI=1S/C16H25N3O2S/c1-12(2)18-15(20)13-9-19(10-14-17-5-8-22-14)11-16(13)3-6-21-7-4-16/h5,8,12-13H,3-4,6-7,9-11H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyPEFGURDFOWEWAW-ZDUSSCGKSA-N
XLogP1.90
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of (4S)-N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 97375261) is (4S)-N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for (4S)-N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for (4S)-N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is CC(C)NC(=O)[C@@H]1CN(Cc2nccs2)CC12CCOCC2.
What is the InChIKey of (4S)-N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is PEFGURDFOWEWAW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-12(2)18-15(20)13-9-19(10-14-17-5-8-22-14)11-16(13)3-6-21-7-4-16/h5,8,12-13H,3-4,6-7,9-11H2,1-2H3,(H,18,20)/t13-/m0/s1.
What are the key properties of (4S)-N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
(4S)-N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 323.46 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 97375261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).