1-[3-(dimethylsulfamoylamino)propyl]-2-oxopyrrolidine

C9H19N3O3S — CID 51077674

IUPAC1-[3-(dimethylsulfamoylamino)propyl]-2-oxopyrrolidine
SMILESCN(C)S(=O)(=O)NCCCN1CCCC1=O
InChIInChI=1S/C9H19N3O3S/c1-11(2)16(14,15)10-6-4-8-12-7-3-5-9(12)13/h10H,3-8H2,1-2H3
InChIKeyGUWJDHHMWVVUMS-UHFFFAOYSA-N
MW249.34 g/mol
LogP-0.61
Rot. Bonds6

About 1-[3-(dimethylsulfamoylamino)propyl]-2-oxopyrrolidine

1-[3-(dimethylsulfamoylamino)propyl]-2-oxopyrrolidine (PubChem CID 51077674) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-[3-(dimethylsulfamoylamino)propyl]-2-oxopyrrolidine.

Molecular Properties

Compound Name1-[3-(dimethylsulfamoylamino)propyl]-2-oxopyrrolidine
PubChem CID51077674
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name1-[3-(dimethylsulfamoylamino)propyl]-2-oxopyrrolidine
SMILESCN(C)S(=O)(=O)NCCCN1CCCC1=O
InChIInChI=1S/C9H19N3O3S/c1-11(2)16(14,15)10-6-4-8-12-7-3-5-9(12)13/h10H,3-8H2,1-2H3
InChIKeyGUWJDHHMWVVUMS-UHFFFAOYSA-N
XLogP-0.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide
CID 10287154
1-[3-(1-sulfanylethylamino)propyl]pyrrolidin-2-one
CID 130243875
4-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,4-disulfonamide
CID 18227621
1-[3-(cyclopropylamino)propyl]pyrrolidin-2-one
CID 61387245
1-[3-(2-methoxyethylamino)propyl]pyrrolidin-2-one
CID 60720084
3-(2-oxopyrrolidin-1-yl)propane-1-sulfonic acid
CID 129048427
2-bromo-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 60732446
4-butan-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 22204003
1-[3-(propan-2-ylamino)propyl]azepan-2-one
CID 60695423
1-[2-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propylamino]ethyl]pyrrolidin-2-one
CID 19837416
1-(4,4-dimethylpentyl)pyrrolidin-2-one
CID 23542009
1-dodecylpyrrolidin-2-one
CID 70222371

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylsulfamoylamino)propyl]-2-oxopyrrolidine?
The IUPAC name of 1-[3-(dimethylsulfamoylamino)propyl]-2-oxopyrrolidine (CID 51077674) is 1-[3-(dimethylsulfamoylamino)propyl]-2-oxopyrrolidine.
What is the SMILES notation for 1-[3-(dimethylsulfamoylamino)propyl]-2-oxopyrrolidine?
The canonical SMILES for 1-[3-(dimethylsulfamoylamino)propyl]-2-oxopyrrolidine is CN(C)S(=O)(=O)NCCCN1CCCC1=O.
What is the InChIKey of 1-[3-(dimethylsulfamoylamino)propyl]-2-oxopyrrolidine?
The InChIKey is GUWJDHHMWVVUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-11(2)16(14,15)10-6-4-8-12-7-3-5-9(12)13/h10H,3-8H2,1-2H3.
What are the key properties of 1-[3-(dimethylsulfamoylamino)propyl]-2-oxopyrrolidine?
1-[3-(dimethylsulfamoylamino)propyl]-2-oxopyrrolidine has a molecular weight of 249.34 g/mol, XLogP of -0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylsulfamoylamino)propyl]-2-oxopyrrolidine is sourced from PubChem (CID 51077674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).