(5S)-7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

C17H25N3OS — CID 97188277

IUPAC(5S)-7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CC2CCC2)CCC[C@@]12CCN(Cc1nccs1)C2
InChIInChI=1S/C17H25N3OS/c21-16-17(5-2-8-20(16)11-14-3-1-4-14)6-9-19(13-17)12-15-18-7-10-22-15/h7,10,14H,1-6,8-9,11-13H2/t17-/m0/s1
InChIKeyQSWXWKRGWFVNER-KRWDZBQOSA-N
MW319.47 g/mol
LogP2.76
Rot. Bonds4

About (5S)-7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97188277) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is (5S)-7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97188277
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC Name(5S)-7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CC2CCC2)CCC[C@@]12CCN(Cc1nccs1)C2
InChIInChI=1S/C17H25N3OS/c21-16-17(5-2-8-20(16)11-14-3-1-4-14)6-9-19(13-17)12-15-18-7-10-22-15/h7,10,14H,1-6,8-9,11-13H2/t17-/m0/s1
InChIKeyQSWXWKRGWFVNER-KRWDZBQOSA-N
XLogP2.76
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97188277) is (5S)-7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one is O=C1N(CC2CCC2)CCC[C@@]12CCN(Cc1nccs1)C2.
What is the InChIKey of (5S)-7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is QSWXWKRGWFVNER-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H25N3OS/c21-16-17(5-2-8-20(16)11-14-3-1-4-14)6-9-19(13-17)12-15-18-7-10-22-15/h7,10,14H,1-6,8-9,11-13H2/t17-/m0/s1.
What are the key properties of (5S)-7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 319.47 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97188277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).