5-oxo-1-(3-propan-2-yloxypropyl)pyrrolidine-3-sulfonyl chloride

C10H18ClNO4S — CID 168711091

IUPAC5-oxo-1-(3-propan-2-yloxypropyl)pyrrolidine-3-sulfonyl chloride
SMILESCC(C)OCCCN1CC(S(=O)(=O)Cl)CC1=O
InChIInChI=1S/C10H18ClNO4S/c1-8(2)16-5-3-4-12-7-9(6-10(12)13)17(11,14)15/h8-9H,3-7H2,1-2H3
InChIKeyOSSNINSODMBKCC-UHFFFAOYSA-N
MW283.78 g/mol
LogP0.97
Rot. Bonds6

About 5-oxo-1-(3-propan-2-yloxypropyl)pyrrolidine-3-sulfonyl chloride

5-oxo-1-(3-propan-2-yloxypropyl)pyrrolidine-3-sulfonyl chloride (PubChem CID 168711091) has the molecular formula C10H18ClNO4S and a molecular weight of 283.78 g/mol. Its IUPAC name is 5-oxo-1-(3-propan-2-yloxypropyl)pyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-oxo-1-(3-propan-2-yloxypropyl)pyrrolidine-3-sulfonyl chloride
PubChem CID168711091
Molecular FormulaC10H18ClNO4S
Molecular Weight283.78 g/mol
Exact Mass283.06
IUPAC Name5-oxo-1-(3-propan-2-yloxypropyl)pyrrolidine-3-sulfonyl chloride
SMILESCC(C)OCCCN1CC(S(=O)(=O)Cl)CC1=O
InChIInChI=1S/C10H18ClNO4S/c1-8(2)16-5-3-4-12-7-9(6-10(12)13)17(11,14)15/h8-9H,3-7H2,1-2H3
InChIKeyOSSNINSODMBKCC-UHFFFAOYSA-N
XLogP0.97
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(3-propan-2-yloxypropyl)pyrrolidine-3-sulfonyl chloride?
The IUPAC name of 5-oxo-1-(3-propan-2-yloxypropyl)pyrrolidine-3-sulfonyl chloride (CID 168711091) is 5-oxo-1-(3-propan-2-yloxypropyl)pyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 5-oxo-1-(3-propan-2-yloxypropyl)pyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 5-oxo-1-(3-propan-2-yloxypropyl)pyrrolidine-3-sulfonyl chloride is CC(C)OCCCN1CC(S(=O)(=O)Cl)CC1=O.
What is the InChIKey of 5-oxo-1-(3-propan-2-yloxypropyl)pyrrolidine-3-sulfonyl chloride?
The InChIKey is OSSNINSODMBKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO4S/c1-8(2)16-5-3-4-12-7-9(6-10(12)13)17(11,14)15/h8-9H,3-7H2,1-2H3.
What are the key properties of 5-oxo-1-(3-propan-2-yloxypropyl)pyrrolidine-3-sulfonyl chloride?
5-oxo-1-(3-propan-2-yloxypropyl)pyrrolidine-3-sulfonyl chloride has a molecular weight of 283.78 g/mol, XLogP of 0.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(3-propan-2-yloxypropyl)pyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168711091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).