N'-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanimidamide

C13H19N3O2S — CID 144713635

IUPACN'-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanimidamide
SMILESC/C(N)=N\c1ccc(S(=O)(=O)N2CCCC2C)cc1
InChIInChI=1S/C13H19N3O2S/c1-10-4-3-9-16(10)19(17,18)13-7-5-12(6-8-13)15-11(2)14/h5-8,10H,3-4,9H2,1-2H3,(H2,14,15)
InChIKeyFMFCDYZYNWREJE-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.87
Rot. Bonds3

About N'-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanimidamide

N'-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanimidamide (PubChem CID 144713635) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N'-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanimidamide.

Molecular Properties

Compound NameN'-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanimidamide
PubChem CID144713635
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN'-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanimidamide
SMILESC/C(N)=N\c1ccc(S(=O)(=O)N2CCCC2C)cc1
InChIInChI=1S/C13H19N3O2S/c1-10-4-3-9-16(10)19(17,18)13-7-5-12(6-8-13)15-11(2)14/h5-8,10H,3-4,9H2,1-2H3,(H2,14,15)
InChIKeyFMFCDYZYNWREJE-UHFFFAOYSA-N
XLogP1.87
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
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(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
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2-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
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1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]piperidine-2,6-dione
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(2R)-2-methyl-1-[4-[(E)-2-phenylethenyl]phenyl]sulfonylpyrrolidine
CID 59100261
2-fluoro-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 54882062
N-methyl-1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine
CID 54882434
2-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]acetonitrile
CID 79186615
2-methyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine
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3-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 60973434

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanimidamide?
The IUPAC name of N'-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanimidamide (CID 144713635) is N'-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanimidamide.
What is the SMILES notation for N'-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanimidamide?
The canonical SMILES for N'-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanimidamide is C/C(N)=N\c1ccc(S(=O)(=O)N2CCCC2C)cc1.
What is the InChIKey of N'-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanimidamide?
The InChIKey is FMFCDYZYNWREJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-10-4-3-9-16(10)19(17,18)13-7-5-12(6-8-13)15-11(2)14/h5-8,10H,3-4,9H2,1-2H3,(H2,14,15).
What are the key properties of N'-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanimidamide?
N'-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanimidamide has a molecular weight of 281.38 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanimidamide is sourced from PubChem (CID 144713635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).