1-(cyclopropylmethyl)-3-hydroxy-3-(thiomorpholin-4-ylmethyl)piperidin-2-one

C14H24N2O2S — CID 45219636

IUPAC1-(cyclopropylmethyl)-3-hydroxy-3-(thiomorpholin-4-ylmethyl)piperidin-2-one
SMILESO=C1N(CC2CC2)CCCC1(O)CN1CCSCC1
InChIInChI=1S/C14H24N2O2S/c17-13-14(18,11-15-6-8-19-9-7-15)4-1-5-16(13)10-12-2-3-12/h12,18H,1-11H2
InChIKeySIDFAXCBHYSCGM-UHFFFAOYSA-N
MW284.43 g/mol
LogP0.80
Rot. Bonds4

About 1-(cyclopropylmethyl)-3-hydroxy-3-(thiomorpholin-4-ylmethyl)piperidin-2-one

1-(cyclopropylmethyl)-3-hydroxy-3-(thiomorpholin-4-ylmethyl)piperidin-2-one (PubChem CID 45219636) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-hydroxy-3-(thiomorpholin-4-ylmethyl)piperidin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-hydroxy-3-(thiomorpholin-4-ylmethyl)piperidin-2-one
PubChem CID45219636
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name1-(cyclopropylmethyl)-3-hydroxy-3-(thiomorpholin-4-ylmethyl)piperidin-2-one
SMILESO=C1N(CC2CC2)CCCC1(O)CN1CCSCC1
InChIInChI=1S/C14H24N2O2S/c17-13-14(18,11-15-6-8-19-9-7-15)4-1-5-16(13)10-12-2-3-12/h12,18H,1-11H2
InChIKeySIDFAXCBHYSCGM-UHFFFAOYSA-N
XLogP0.80
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-hydroxy-3-(thiomorpholin-4-ylmethyl)piperidin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-3-hydroxy-3-(thiomorpholin-4-ylmethyl)piperidin-2-one (CID 45219636) is 1-(cyclopropylmethyl)-3-hydroxy-3-(thiomorpholin-4-ylmethyl)piperidin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-hydroxy-3-(thiomorpholin-4-ylmethyl)piperidin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-3-hydroxy-3-(thiomorpholin-4-ylmethyl)piperidin-2-one is O=C1N(CC2CC2)CCCC1(O)CN1CCSCC1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-hydroxy-3-(thiomorpholin-4-ylmethyl)piperidin-2-one?
The InChIKey is SIDFAXCBHYSCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c17-13-14(18,11-15-6-8-19-9-7-15)4-1-5-16(13)10-12-2-3-12/h12,18H,1-11H2.
What are the key properties of 1-(cyclopropylmethyl)-3-hydroxy-3-(thiomorpholin-4-ylmethyl)piperidin-2-one?
1-(cyclopropylmethyl)-3-hydroxy-3-(thiomorpholin-4-ylmethyl)piperidin-2-one has a molecular weight of 284.43 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-hydroxy-3-(thiomorpholin-4-ylmethyl)piperidin-2-one is sourced from PubChem (CID 45219636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).