(5R)-2-(2-methylsulfonylethyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

C16H28N2O4S — CID 97109673

IUPAC(5R)-2-(2-methylsulfonylethyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCS(=O)(=O)CCN1CC[C@]2(CCCN(C3CCOCC3)C2=O)C1
InChIInChI=1S/C16H28N2O4S/c1-23(20,21)12-9-17-8-6-16(13-17)5-2-7-18(15(16)19)14-3-10-22-11-4-14/h14H,2-13H2,1H3/t16-/m1/s1
InChIKeyQESDJUBMRSCUFM-MRXNPFEDSA-N
MW344.48 g/mol
LogP0.52
Rot. Bonds4

About (5R)-2-(2-methylsulfonylethyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

(5R)-2-(2-methylsulfonylethyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97109673) has the molecular formula C16H28N2O4S and a molecular weight of 344.48 g/mol. Its IUPAC name is (5R)-2-(2-methylsulfonylethyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-2-(2-methylsulfonylethyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97109673
Molecular FormulaC16H28N2O4S
Molecular Weight344.48 g/mol
Exact Mass344.18
IUPAC Name(5R)-2-(2-methylsulfonylethyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCS(=O)(=O)CCN1CC[C@]2(CCCN(C3CCOCC3)C2=O)C1
InChIInChI=1S/C16H28N2O4S/c1-23(20,21)12-9-17-8-6-16(13-17)5-2-7-18(15(16)19)14-3-10-22-11-4-14/h14H,2-13H2,1H3/t16-/m1/s1
InChIKeyQESDJUBMRSCUFM-MRXNPFEDSA-N
XLogP0.52
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-(2-methylsulfonylethyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-2-(2-methylsulfonylethyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 97109673) is (5R)-2-(2-methylsulfonylethyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-2-(2-methylsulfonylethyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-2-(2-methylsulfonylethyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is CS(=O)(=O)CCN1CC[C@]2(CCCN(C3CCOCC3)C2=O)C1.
What is the InChIKey of (5R)-2-(2-methylsulfonylethyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is QESDJUBMRSCUFM-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H28N2O4S/c1-23(20,21)12-9-17-8-6-16(13-17)5-2-7-18(15(16)19)14-3-10-22-11-4-14/h14H,2-13H2,1H3/t16-/m1/s1.
What are the key properties of (5R)-2-(2-methylsulfonylethyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
(5R)-2-(2-methylsulfonylethyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 344.48 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(2-methylsulfonylethyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97109673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).