5-oxo-1-pentylpyrrolidine-3-sulfonyl chloride

C9H16ClNO3S — CID 168711163

IUPAC5-oxo-1-pentylpyrrolidine-3-sulfonyl chloride
SMILESCCCCCN1CC(S(=O)(=O)Cl)CC1=O
InChIInChI=1S/C9H16ClNO3S/c1-2-3-4-5-11-7-8(6-9(11)12)15(10,13)14/h8H,2-7H2,1H3
InChIKeyIWIVFSMZFAJADS-UHFFFAOYSA-N
MW253.75 g/mol
LogP1.35
Rot. Bonds5

About 5-oxo-1-pentylpyrrolidine-3-sulfonyl chloride

5-oxo-1-pentylpyrrolidine-3-sulfonyl chloride (PubChem CID 168711163) has the molecular formula C9H16ClNO3S and a molecular weight of 253.75 g/mol. Its IUPAC name is 5-oxo-1-pentylpyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-oxo-1-pentylpyrrolidine-3-sulfonyl chloride
PubChem CID168711163
Molecular FormulaC9H16ClNO3S
Molecular Weight253.75 g/mol
Exact Mass253.05
IUPAC Name5-oxo-1-pentylpyrrolidine-3-sulfonyl chloride
SMILESCCCCCN1CC(S(=O)(=O)Cl)CC1=O
InChIInChI=1S/C9H16ClNO3S/c1-2-3-4-5-11-7-8(6-9(11)12)15(10,13)14/h8H,2-7H2,1H3
InChIKeyIWIVFSMZFAJADS-UHFFFAOYSA-N
XLogP1.35
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711428
5-oxo-1-(3-propan-2-yloxypropyl)pyrrolidine-3-sulfonyl chloride
CID 168711091
1-(2-methoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711430
4-chloro-1-hexylpyrrolidin-2-one
CID 168687403
1-[4-(N-methylanilino)butyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711332
4-(chloromethyl)-1-nonylpyrrolidin-2-one
CID 168507077
1-(2,2-diethoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711208
(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531
1-decyl-5-oxopyrrolidine-3-carboxylic acid
CID 3023563
1-[2-(3,5-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711550
4-(hydroxymethyl)-1-undecylpyrrolidin-2-one
CID 175080693
1-[2-(2-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712089

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-pentylpyrrolidine-3-sulfonyl chloride?
The IUPAC name of 5-oxo-1-pentylpyrrolidine-3-sulfonyl chloride (CID 168711163) is 5-oxo-1-pentylpyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 5-oxo-1-pentylpyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 5-oxo-1-pentylpyrrolidine-3-sulfonyl chloride is CCCCCN1CC(S(=O)(=O)Cl)CC1=O.
What is the InChIKey of 5-oxo-1-pentylpyrrolidine-3-sulfonyl chloride?
The InChIKey is IWIVFSMZFAJADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO3S/c1-2-3-4-5-11-7-8(6-9(11)12)15(10,13)14/h8H,2-7H2,1H3.
What are the key properties of 5-oxo-1-pentylpyrrolidine-3-sulfonyl chloride?
5-oxo-1-pentylpyrrolidine-3-sulfonyl chloride has a molecular weight of 253.75 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-pentylpyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168711163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).