N-[3-[3-(cyclopropylamino)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide

C11H21N3O3S — CID 106338480

IUPACN-[3-[3-(cyclopropylamino)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCN1CCC(NC2CC2)C1=O
InChIInChI=1S/C11H21N3O3S/c1-18(16,17)12-6-2-7-14-8-5-10(11(14)15)13-9-3-4-9/h9-10,12-13H,2-8H2,1H3
InChIKeyOAGNTFWHONNZIN-UHFFFAOYSA-N
MW275.37 g/mol
LogP-0.72
Rot. Bonds7

About N-[3-[3-(cyclopropylamino)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide

N-[3-[3-(cyclopropylamino)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide (PubChem CID 106338480) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[3-[3-(cyclopropylamino)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[3-(cyclopropylamino)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide
PubChem CID106338480
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC NameN-[3-[3-(cyclopropylamino)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCN1CCC(NC2CC2)C1=O
InChIInChI=1S/C11H21N3O3S/c1-18(16,17)12-6-2-7-14-8-5-10(11(14)15)13-9-3-4-9/h9-10,12-13H,2-8H2,1H3
InChIKeyOAGNTFWHONNZIN-UHFFFAOYSA-N
XLogP-0.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopropylamino)-1-(4-hydroxypentyl)pyrrolidin-2-one
CID 106137685
N-[3-(3-bromo-2-oxopiperidin-1-yl)propyl]methanesulfonamide
CID 106339440
3-(cyclopropylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-one
CID 106432540
3-(cyclopropylamino)-1-[3-(2-hydroxyethoxy)propyl]piperidin-2-one
CID 106305737
3-(cyclopropylamino)-1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-one
CID 65035410
3-(cyclopropylamino)-1-[2-(oxan-2-yl)ethyl]pyrrolidin-2-one
CID 114136071
3-(cyclopropylamino)-1-[2-(triazol-1-yl)ethyl]pyrrolidin-2-one
CID 113413278
3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
CID 79238622
3-(cyclopropylamino)-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one
CID 82874672
3-(cyclopropylamino)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-2-one
CID 114516757
1-[3-(cyclopropylamino)propyl]-3-methylpiperidin-2-one
CID 104679985
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)pyrrolidin-2-one
CID 106039908

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(cyclopropylamino)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide?
The IUPAC name of N-[3-[3-(cyclopropylamino)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide (CID 106338480) is N-[3-[3-(cyclopropylamino)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[3-(cyclopropylamino)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[3-(cyclopropylamino)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide is CS(=O)(=O)NCCCN1CCC(NC2CC2)C1=O.
What is the InChIKey of N-[3-[3-(cyclopropylamino)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide?
The InChIKey is OAGNTFWHONNZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-18(16,17)12-6-2-7-14-8-5-10(11(14)15)13-9-3-4-9/h9-10,12-13H,2-8H2,1H3.
What are the key properties of N-[3-[3-(cyclopropylamino)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide?
N-[3-[3-(cyclopropylamino)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide has a molecular weight of 275.37 g/mol, XLogP of -0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(cyclopropylamino)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide is sourced from PubChem (CID 106338480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).