(3S)-1-benzyl-N-[2-(methanesulfonamido)ethyl]-5-oxopyrrolidine-3-carboxamide

C15H21N3O4S — CID 36903548

IUPAC(3S)-1-benzyl-N-[2-(methanesulfonamido)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C15H21N3O4S/c1-23(21,22)17-8-7-16-15(20)13-9-14(19)18(11-13)10-12-5-3-2-4-6-12/h2-6,13,17H,7-11H2,1H3,(H,16,20)/t13-/m0/s1
InChIKeyYCPKRCKVHORIBE-ZDUSSCGKSA-N
MW339.42 g/mol
LogP-0.30
Rot. Bonds7

About (3S)-1-benzyl-N-[2-(methanesulfonamido)ethyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-benzyl-N-[2-(methanesulfonamido)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 36903548) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is (3S)-1-benzyl-N-[2-(methanesulfonamido)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-benzyl-N-[2-(methanesulfonamido)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID36903548
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name(3S)-1-benzyl-N-[2-(methanesulfonamido)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C15H21N3O4S/c1-23(21,22)17-8-7-16-15(20)13-9-14(19)18(11-13)10-12-5-3-2-4-6-12/h2-6,13,17H,7-11H2,1H3,(H,16,20)/t13-/m0/s1
InChIKeyYCPKRCKVHORIBE-ZDUSSCGKSA-N
XLogP-0.30
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 5-0.30
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

N-[2-(methanesulfonamido)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42651861
1-benzyl-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 119431391
1-benzyl-N-[2-(diethylcarbamoylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108572365
1-benzyl-N-[2-(3-chloropropanoylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108572361
1-benzyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 4827205
1-benzyl-N-[2-(furan-2-carbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108539005
1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113183699
1-benzyl-5-oxo-N-[2-(oxolane-2-carbonylamino)ethyl]pyrrolidine-3-carboxamide
CID 108541036
1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 18074627
N-(2-amino-2-ethylbutyl)-1-benzyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119641392
methyl (E)-5-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]pent-2-enoate
CID 146099845
(3S)-1-benzyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 93017350

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-N-[2-(methanesulfonamido)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-benzyl-N-[2-(methanesulfonamido)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 36903548) is (3S)-1-benzyl-N-[2-(methanesulfonamido)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-benzyl-N-[2-(methanesulfonamido)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-benzyl-N-[2-(methanesulfonamido)ethyl]-5-oxopyrrolidine-3-carboxamide is CS(=O)(=O)NCCNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of (3S)-1-benzyl-N-[2-(methanesulfonamido)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YCPKRCKVHORIBE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-23(21,22)17-8-7-16-15(20)13-9-14(19)18(11-13)10-12-5-3-2-4-6-12/h2-6,13,17H,7-11H2,1H3,(H,16,20)/t13-/m0/s1.
What are the key properties of (3S)-1-benzyl-N-[2-(methanesulfonamido)ethyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-benzyl-N-[2-(methanesulfonamido)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 339.42 g/mol, XLogP of -0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-N-[2-(methanesulfonamido)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 36903548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).