[(3S)-3-(hydroxymethyl)-3-methyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-5-yl)methanone

C15H23N3O5S — CID 124990268

IUPAC[(3S)-3-(hydroxymethyl)-3-methyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-5-yl)methanone
SMILESC[C@@]1(CO)CC2(CCN(C(=O)c3cnco3)CC2)CN1S(C)(=O)=O
InChIInChI=1S/C15H23N3O5S/c1-14(10-19)8-15(9-18(14)24(2,21)22)3-5-17(6-4-15)13(20)12-7-16-11-23-12/h7,11,19H,3-6,8-10H2,1-2H3/t14-/m0/s1
InChIKeyPAPAXQHQJMMRTP-AWEZNQCLSA-N
MW357.43 g/mol
LogP0.31
Rot. Bonds3

About [(3S)-3-(hydroxymethyl)-3-methyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-5-yl)methanone

[(3S)-3-(hydroxymethyl)-3-methyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-5-yl)methanone (PubChem CID 124990268) has the molecular formula C15H23N3O5S and a molecular weight of 357.43 g/mol. Its IUPAC name is [(3S)-3-(hydroxymethyl)-3-methyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(hydroxymethyl)-3-methyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-5-yl)methanone
PubChem CID124990268
Molecular FormulaC15H23N3O5S
Molecular Weight357.43 g/mol
Exact Mass357.14
IUPAC Name[(3S)-3-(hydroxymethyl)-3-methyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-5-yl)methanone
SMILESC[C@@]1(CO)CC2(CCN(C(=O)c3cnco3)CC2)CN1S(C)(=O)=O
InChIInChI=1S/C15H23N3O5S/c1-14(10-19)8-15(9-18(14)24(2,21)22)3-5-17(6-4-15)13(20)12-7-16-11-23-12/h7,11,19H,3-6,8-10H2,1-2H3/t14-/m0/s1
InChIKeyPAPAXQHQJMMRTP-AWEZNQCLSA-N
XLogP0.31
TPSA103.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(hydroxymethyl)-3-methyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-5-yl)methanone?
The IUPAC name of [(3S)-3-(hydroxymethyl)-3-methyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-5-yl)methanone (CID 124990268) is [(3S)-3-(hydroxymethyl)-3-methyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [(3S)-3-(hydroxymethyl)-3-methyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-5-yl)methanone?
The canonical SMILES for [(3S)-3-(hydroxymethyl)-3-methyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-5-yl)methanone is C[C@@]1(CO)CC2(CCN(C(=O)c3cnco3)CC2)CN1S(C)(=O)=O.
What is the InChIKey of [(3S)-3-(hydroxymethyl)-3-methyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-5-yl)methanone?
The InChIKey is PAPAXQHQJMMRTP-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N3O5S/c1-14(10-19)8-15(9-18(14)24(2,21)22)3-5-17(6-4-15)13(20)12-7-16-11-23-12/h7,11,19H,3-6,8-10H2,1-2H3/t14-/m0/s1.
What are the key properties of [(3S)-3-(hydroxymethyl)-3-methyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-5-yl)methanone?
[(3S)-3-(hydroxymethyl)-3-methyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-5-yl)methanone has a molecular weight of 357.43 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(hydroxymethyl)-3-methyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 124990268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).