1-(3-methylsulfanylpropyl)-5-oxopyrrolidine-3-sulfonamide

C8H16N2O3S2 — CID 168717537

IUPAC1-(3-methylsulfanylpropyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCSCCCN1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C8H16N2O3S2/c1-14-4-2-3-10-6-7(5-8(10)11)15(9,12)13/h7H,2-6H2,1H3,(H2,9,12,13)
InChIKeyQORPPYDPBQHALO-UHFFFAOYSA-N
MW252.36 g/mol
LogP-0.37
Rot. Bonds5

About 1-(3-methylsulfanylpropyl)-5-oxopyrrolidine-3-sulfonamide

1-(3-methylsulfanylpropyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717537) has the molecular formula C8H16N2O3S2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(3-methylsulfanylpropyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(3-methylsulfanylpropyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717537
Molecular FormulaC8H16N2O3S2
Molecular Weight252.36 g/mol
Exact Mass252.06
IUPAC Name1-(3-methylsulfanylpropyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCSCCCN1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C8H16N2O3S2/c1-14-4-2-3-10-6-7(5-8(10)11)15(9,12)13/h7H,2-6H2,1H3,(H2,9,12,13)
InChIKeyQORPPYDPBQHALO-UHFFFAOYSA-N
XLogP-0.37
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-oxo-1-(3-trimethoxysilylpropyl)pyrrolidine-3-sulfonamide
CID 168717350
1-[3-(azepan-1-yl)propyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718145
5-oxo-1-(2-pyrrol-1-ylethyl)pyrrolidine-3-sulfonamide
CID 168718283
1-(3,3-diethoxypropyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717057
1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718184
5-oxo-1-prop-2-ynylpyrrolidine-3-sulfonamide
CID 168716757
N,N-dimethyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetamide
CID 168717165
5-oxo-1-pentylpyrrolidine-3-sulfonyl chloride
CID 168711163
1-[2-(2,3-dihydroindol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718162
1-(3-methoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711428
1-(3-hydroxypropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714823
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717155

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfanylpropyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(3-methylsulfanylpropyl)-5-oxopyrrolidine-3-sulfonamide (CID 168717537) is 1-(3-methylsulfanylpropyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(3-methylsulfanylpropyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(3-methylsulfanylpropyl)-5-oxopyrrolidine-3-sulfonamide is CSCCCN1CC(S(N)(=O)=O)CC1=O.
What is the InChIKey of 1-(3-methylsulfanylpropyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is QORPPYDPBQHALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S2/c1-14-4-2-3-10-6-7(5-8(10)11)15(9,12)13/h7H,2-6H2,1H3,(H2,9,12,13).
What are the key properties of 1-(3-methylsulfanylpropyl)-5-oxopyrrolidine-3-sulfonamide?
1-(3-methylsulfanylpropyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 252.36 g/mol, XLogP of -0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfanylpropyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).