2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-2,9-diazaspiro[5.5]undecan-3-one

C15H22N2O2S — CID 97144533

IUPAC2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCNCC2)CN1C[C@H](O)c1cccs1
InChIInChI=1S/C15H22N2O2S/c18-12(13-2-1-9-20-13)10-17-11-15(4-3-14(17)19)5-7-16-8-6-15/h1-2,9,12,16,18H,3-8,10-11H2/t12-/m0/s1
InChIKeyOFGKRYYBMFJORL-LBPRGKRZSA-N
MW294.42 g/mol
LogP1.77
Rot. Bonds3

About 2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-2,9-diazaspiro[5.5]undecan-3-one

2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97144533) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97144533
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCNCC2)CN1C[C@H](O)c1cccs1
InChIInChI=1S/C15H22N2O2S/c18-12(13-2-1-9-20-13)10-17-11-15(4-3-14(17)19)5-7-16-8-6-15/h1-2,9,12,16,18H,3-8,10-11H2/t12-/m0/s1
InChIKeyOFGKRYYBMFJORL-LBPRGKRZSA-N
XLogP1.77
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 97144533) is 2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCNCC2)CN1C[C@H](O)c1cccs1.
What is the InChIKey of 2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is OFGKRYYBMFJORL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O2S/c18-12(13-2-1-9-20-13)10-17-11-15(4-3-14(17)19)5-7-16-8-6-15/h1-2,9,12,16,18H,3-8,10-11H2/t12-/m0/s1.
What are the key properties of 2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 294.42 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97144533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).