1-(oxan-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride

C9H14ClNO4S — CID 168712029

IUPAC1-(oxan-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1C1CCOCC1
InChIInChI=1S/C9H14ClNO4S/c10-16(13,14)8-5-9(12)11(6-8)7-1-3-15-4-2-7/h7-8H,1-6H2
InChIKeyRQESOGJMWIBJLV-UHFFFAOYSA-N
MW267.73 g/mol
LogP0.33
Rot. Bonds2

About 1-(oxan-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride

1-(oxan-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168712029) has the molecular formula C9H14ClNO4S and a molecular weight of 267.73 g/mol. Its IUPAC name is 1-(oxan-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(oxan-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168712029
Molecular FormulaC9H14ClNO4S
Molecular Weight267.73 g/mol
Exact Mass267.03
IUPAC Name1-(oxan-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1C1CCOCC1
InChIInChI=1S/C9H14ClNO4S/c10-16(13,14)8-5-9(12)11(6-8)7-1-3-15-4-2-7/h7-8H,1-6H2
InChIKeyRQESOGJMWIBJLV-UHFFFAOYSA-N
XLogP0.33
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.73
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711327
1-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712027
5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-sulfonyl chloride
CID 168712009
1-(oxan-4-yl)-4-propan-2-ylpyrrolidin-2-one
CID 146559107
1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168710836
1-(3-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712858
tert-butyl 3-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)azetidine-1-carboxylate
CID 168711018
5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonamide
CID 168718088
5-oxo-1-(1-pyrimidin-2-ylpiperidin-3-yl)pyrrolidine-3-sulfonyl chloride
CID 168710977
3-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]propanoic acid
CID 115044157
4-hydroxy-1-[(3R)-oxolan-3-yl]pyrrolidin-2-one
CID 168701747
5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride
CID 168712980

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(oxan-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168712029) is 1-(oxan-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(oxan-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(oxan-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride is O=C1CC(S(=O)(=O)Cl)CN1C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is RQESOGJMWIBJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO4S/c10-16(13,14)8-5-9(12)11(6-8)7-1-3-15-4-2-7/h7-8H,1-6H2.
What are the key properties of 1-(oxan-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(oxan-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 267.73 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168712029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).