1-cyclopentyl-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]methanesulfonamide

C11H18N2O4S — CID 164637523

IUPAC1-cyclopentyl-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]methanesulfonamide
SMILESCN1C(=O)C[C@H](NS(=O)(=O)CC2CCCC2)C1=O
InChIInChI=1S/C11H18N2O4S/c1-13-10(14)6-9(11(13)15)12-18(16,17)7-8-4-2-3-5-8/h8-9,12H,2-7H2,1H3/t9-/m0/s1
InChIKeyTWNQAUDATPMSDA-VIFPVBQESA-N
MW274.34 g/mol
LogP-0.15
Rot. Bonds4

About 1-cyclopentyl-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]methanesulfonamide

1-cyclopentyl-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 164637523) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]methanesulfonamide
PubChem CID164637523
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name1-cyclopentyl-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]methanesulfonamide
SMILESCN1C(=O)C[C@H](NS(=O)(=O)CC2CCCC2)C1=O
InChIInChI=1S/C11H18N2O4S/c1-13-10(14)6-9(11(13)15)12-18(16,17)7-8-4-2-3-5-8/h8-9,12H,2-7H2,1H3/t9-/m0/s1
InChIKeyTWNQAUDATPMSDA-VIFPVBQESA-N
XLogP-0.15
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of 1-cyclopentyl-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]methanesulfonamide (CID 164637523) is 1-cyclopentyl-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for 1-cyclopentyl-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for 1-cyclopentyl-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]methanesulfonamide is CN1C(=O)C[C@H](NS(=O)(=O)CC2CCCC2)C1=O.
What is the InChIKey of 1-cyclopentyl-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is TWNQAUDATPMSDA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-13-10(14)6-9(11(13)15)12-18(16,17)7-8-4-2-3-5-8/h8-9,12H,2-7H2,1H3/t9-/m0/s1.
What are the key properties of 1-cyclopentyl-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]methanesulfonamide?
1-cyclopentyl-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 274.34 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 164637523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).