2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide

C12H21N3O4S — CID 43637629

IUPAC2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNC1CC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C12H21N3O4S/c13-20(18,19)7-6-14-10-8-11(16)15(12(10)17)9-4-2-1-3-5-9/h9-10,14H,1-8H2,(H2,13,18,19)
InChIKeyMSJLXIJNOYGCCS-UHFFFAOYSA-N
MW303.38 g/mol
LogP-0.68
Rot. Bonds5

About 2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide

2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide (PubChem CID 43637629) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide
PubChem CID43637629
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC Name2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNC1CC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C12H21N3O4S/c13-20(18,19)7-6-14-10-8-11(16)15(12(10)17)9-4-2-1-3-5-9/h9-10,14H,1-8H2,(H2,13,18,19)
InChIKeyMSJLXIJNOYGCCS-UHFFFAOYSA-N
XLogP-0.68
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide (CID 43637629) is 2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide is NS(=O)(=O)CCNC1CC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide?
The InChIKey is MSJLXIJNOYGCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c13-20(18,19)7-6-14-10-8-11(16)15(12(10)17)9-4-2-1-3-5-9/h9-10,14H,1-8H2,(H2,13,18,19).
What are the key properties of 2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide?
2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide has a molecular weight of 303.38 g/mol, XLogP of -0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]ethanesulfonamide is sourced from PubChem (CID 43637629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).