1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidine-3-sulfonyl chloride

C12H21ClN2O4S — CID 168710875

IUPAC1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCC(CCN1CC(S(=O)(=O)Cl)CC1=O)N1CCOCC1
InChIInChI=1S/C12H21ClN2O4S/c1-10(14-4-6-19-7-5-14)2-3-15-9-11(8-12(15)16)20(13,17)18/h10-11H,2-9H2,1H3
InChIKeySVSDOMAKMFNUEO-UHFFFAOYSA-N
MW324.83 g/mol
LogP0.27
Rot. Bonds5

About 1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidine-3-sulfonyl chloride

1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168710875) has the molecular formula C12H21ClN2O4S and a molecular weight of 324.83 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168710875
Molecular FormulaC12H21ClN2O4S
Molecular Weight324.83 g/mol
Exact Mass324.09
IUPAC Name1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCC(CCN1CC(S(=O)(=O)Cl)CC1=O)N1CCOCC1
InChIInChI=1S/C12H21ClN2O4S/c1-10(14-4-6-19-7-5-14)2-3-15-9-11(8-12(15)16)20(13,17)18/h10-11H,2-9H2,1H3
InChIKeySVSDOMAKMFNUEO-UHFFFAOYSA-N
XLogP0.27
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168710875) is 1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidine-3-sulfonyl chloride is CC(CCN1CC(S(=O)(=O)Cl)CC1=O)N1CCOCC1.
What is the InChIKey of 1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is SVSDOMAKMFNUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2O4S/c1-10(14-4-6-19-7-5-14)2-3-15-9-11(8-12(15)16)20(13,17)18/h10-11H,2-9H2,1H3.
What are the key properties of 1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 324.83 g/mol, XLogP of 0.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylbutyl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168710875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).