3-chloro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one

C12H17ClN2O4S — CID 64607725

IUPAC3-chloro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one
SMILESCOCC1CCN(S(=O)(=O)c2c[nH]c(=O)c(Cl)c2)CC1
InChIInChI=1S/C12H17ClN2O4S/c1-19-8-9-2-4-15(5-3-9)20(17,18)10-6-11(13)12(16)14-7-10/h6-7,9H,2-5,8H2,1H3,(H,14,16)
InChIKeyHIYMMJZWFUCUIS-UHFFFAOYSA-N
MW320.80 g/mol
LogP1.08
Rot. Bonds4

About 3-chloro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one

3-chloro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one (PubChem CID 64607725) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is 3-chloro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one
PubChem CID64607725
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC Name3-chloro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one
SMILESCOCC1CCN(S(=O)(=O)c2c[nH]c(=O)c(Cl)c2)CC1
InChIInChI=1S/C12H17ClN2O4S/c1-19-8-9-2-4-15(5-3-9)20(17,18)10-6-11(13)12(16)14-7-10/h6-7,9H,2-5,8H2,1H3,(H,14,16)
InChIKeyHIYMMJZWFUCUIS-UHFFFAOYSA-N
XLogP1.08
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one (CID 64607725) is 3-chloro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one is COCC1CCN(S(=O)(=O)c2c[nH]c(=O)c(Cl)c2)CC1.
What is the InChIKey of 3-chloro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one?
The InChIKey is HIYMMJZWFUCUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S/c1-19-8-9-2-4-15(5-3-9)20(17,18)10-6-11(13)12(16)14-7-10/h6-7,9H,2-5,8H2,1H3,(H,14,16).
What are the key properties of 3-chloro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one?
3-chloro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one has a molecular weight of 320.80 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 64607725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).