methyl (2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetate

C16H20N2O4S — CID 59285061

IUPACmethyl (2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetate
SMILESCOC(=O)/C(=N/N1CCCC1)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C16H20N2O4S/c1-22-16(19)15(17-18-10-2-3-11-18)12-4-6-13(7-5-12)23(20,21)14-8-9-14/h4-7,14H,2-3,8-11H2,1H3/b17-15+
InChIKeyJQAUJAQRQYPCDG-BMRADRMJSA-N
MW336.41 g/mol
LogP1.60
Rot. Bonds5

About methyl (2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetate

methyl (2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetate (PubChem CID 59285061) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is methyl (2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetate.

Molecular Properties

Compound Namemethyl (2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetate
PubChem CID59285061
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Namemethyl (2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetate
SMILESCOC(=O)/C(=N/N1CCCC1)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C16H20N2O4S/c1-22-16(19)15(17-18-10-2-3-11-18)12-4-6-13(7-5-12)23(20,21)14-8-9-14/h4-7,14H,2-3,8-11H2,1H3/b17-15+
InChIKeyJQAUJAQRQYPCDG-BMRADRMJSA-N
XLogP1.60
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze methyl (2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetic acid
CID 75075997
(2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetamide
CID 89149991
methyl 2-(cyanomethoxyimino)-2-(4-cyclopropylsulfonylphenyl)acetate
CID 76630024
4-[[2-[[(2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetyl]amino]-1,3-thiazol-5-yl]methyl]-N-methylpiperazine-1-carboxamide
CID 59285103
2-(4-cyclopropylsulfonylphenyl)-N-[5-[3-(dimethylamino)propoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-pyrrolidin-1-yliminoacetamide
CID 74384106
4-cycloheptylsulfonylbenzoic acid
CID 82925823
methyl 4-piperidin-1-ylsulfonylbenzoate
CID 1428549
1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine
CID 122445486
methyl 4-(3-phenylazepan-1-yl)sulfonylbenzoate
CID 90608691
(4-cyclopentylsulfonylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119561781
[(3R)-1-(4-cyclopropylsulfonylphenyl)sulfonylpiperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 166634326
N-[5-[3-(methylamino)propoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]-2-pyrrolidin-1-yliminoacetamide
CID 90745673

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetate?
The IUPAC name of methyl (2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetate (CID 59285061) is methyl (2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetate.
What is the SMILES notation for methyl (2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetate?
The canonical SMILES for methyl (2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetate is COC(=O)/C(=N/N1CCCC1)c1ccc(S(=O)(=O)C2CC2)cc1.
What is the InChIKey of methyl (2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetate?
The InChIKey is JQAUJAQRQYPCDG-BMRADRMJSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-22-16(19)15(17-18-10-2-3-11-18)12-4-6-13(7-5-12)23(20,21)14-8-9-14/h4-7,14H,2-3,8-11H2,1H3/b17-15+.
What are the key properties of methyl (2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetate?
methyl (2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetate has a molecular weight of 336.41 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-1-yliminoacetate is sourced from PubChem (CID 59285061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).