N-ethyl-2-[2-oxo-3-(propylamino)pyrrolidin-1-yl]ethanesulfonamide

C11H23N3O3S — CID 114175431

IUPACN-ethyl-2-[2-oxo-3-(propylamino)pyrrolidin-1-yl]ethanesulfonamide
SMILESCCCNC1CCN(CCS(=O)(=O)NCC)C1=O
InChIInChI=1S/C11H23N3O3S/c1-3-6-12-10-5-7-14(11(10)15)8-9-18(16,17)13-4-2/h10,12-13H,3-9H2,1-2H3
InChIKeyHSZQGVXQAPQEHX-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.47
Rot. Bonds8

About N-ethyl-2-[2-oxo-3-(propylamino)pyrrolidin-1-yl]ethanesulfonamide

N-ethyl-2-[2-oxo-3-(propylamino)pyrrolidin-1-yl]ethanesulfonamide (PubChem CID 114175431) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-ethyl-2-[2-oxo-3-(propylamino)pyrrolidin-1-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[2-oxo-3-(propylamino)pyrrolidin-1-yl]ethanesulfonamide
PubChem CID114175431
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC NameN-ethyl-2-[2-oxo-3-(propylamino)pyrrolidin-1-yl]ethanesulfonamide
SMILESCCCNC1CCN(CCS(=O)(=O)NCC)C1=O
InChIInChI=1S/C11H23N3O3S/c1-3-6-12-10-5-7-14(11(10)15)8-9-18(16,17)13-4-2/h10,12-13H,3-9H2,1-2H3
InChIKeyHSZQGVXQAPQEHX-UHFFFAOYSA-N
XLogP-0.47
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclohexylmethyl)-3-(propylamino)pyrrolidin-2-one
CID 54972766
1-[(1-methylcyclopentyl)methyl]-3-(propylamino)pyrrolidin-2-one
CID 55261019
3-(propylamino)-1-(2,2,3-trimethylbutyl)pyrrolidin-2-one
CID 114100312
1-[2-(furan-2-yl)ethyl]-3-(propylamino)pyrrolidin-2-one
CID 54973475
1-[2-(1-methylpyrazol-3-yl)ethyl]-3-(propylamino)pyrrolidin-2-one
CID 106106502
1-[(3-methylcyclohexyl)methyl]-3-(propylamino)pyrrolidin-2-one
CID 114129785
3-(ethylamino)-1-(3-propoxypropyl)pyrrolidin-2-one
CID 82943080
3-(ethylamino)-1-(2-methylsulfanylethyl)pyrrolidin-2-one
CID 63965198
1-(2,2-difluoroethyl)-3-(propylamino)piperidin-2-one
CID 115408790
1-(4-methylsulfanylbutyl)-3-(propylamino)piperidin-2-one
CID 113488293
2-[4-(propylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanesulfonamide
CID 114384644
N-ethyl-2-piperidin-1-ylethanesulfonamide
CID 58968860

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-oxo-3-(propylamino)pyrrolidin-1-yl]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[2-oxo-3-(propylamino)pyrrolidin-1-yl]ethanesulfonamide (CID 114175431) is N-ethyl-2-[2-oxo-3-(propylamino)pyrrolidin-1-yl]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[2-oxo-3-(propylamino)pyrrolidin-1-yl]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[2-oxo-3-(propylamino)pyrrolidin-1-yl]ethanesulfonamide is CCCNC1CCN(CCS(=O)(=O)NCC)C1=O.
What is the InChIKey of N-ethyl-2-[2-oxo-3-(propylamino)pyrrolidin-1-yl]ethanesulfonamide?
The InChIKey is HSZQGVXQAPQEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-3-6-12-10-5-7-14(11(10)15)8-9-18(16,17)13-4-2/h10,12-13H,3-9H2,1-2H3.
What are the key properties of N-ethyl-2-[2-oxo-3-(propylamino)pyrrolidin-1-yl]ethanesulfonamide?
N-ethyl-2-[2-oxo-3-(propylamino)pyrrolidin-1-yl]ethanesulfonamide has a molecular weight of 277.39 g/mol, XLogP of -0.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-oxo-3-(propylamino)pyrrolidin-1-yl]ethanesulfonamide is sourced from PubChem (CID 114175431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).