N,N-diethyl-N'-(4-methylphenyl)sulfonylpyrrolidine-1-carboximidamide

C16H25N3O2S — CID 10881850

IUPACN,N-diethyl-N'-(4-methylphenyl)sulfonylpyrrolidine-1-carboximidamide
SMILESCCN(CC)/C(=N/S(=O)(=O)c1ccc(C)cc1)N1CCCC1
InChIInChI=1S/C16H25N3O2S/c1-4-18(5-2)16(19-12-6-7-13-19)17-22(20,21)15-10-8-14(3)9-11-15/h8-11H,4-7,12-13H2,1-3H3/b17-16-
InChIKeyRZADCZOBVHNDFX-MSUUIHNZSA-N
MW323.46 g/mol
LogP2.48
Rot. Bonds4

About N,N-diethyl-N'-(4-methylphenyl)sulfonylpyrrolidine-1-carboximidamide

N,N-diethyl-N'-(4-methylphenyl)sulfonylpyrrolidine-1-carboximidamide (PubChem CID 10881850) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N,N-diethyl-N'-(4-methylphenyl)sulfonylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN,N-diethyl-N'-(4-methylphenyl)sulfonylpyrrolidine-1-carboximidamide
PubChem CID10881850
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN,N-diethyl-N'-(4-methylphenyl)sulfonylpyrrolidine-1-carboximidamide
SMILESCCN(CC)/C(=N/S(=O)(=O)c1ccc(C)cc1)N1CCCC1
InChIInChI=1S/C16H25N3O2S/c1-4-18(5-2)16(19-12-6-7-13-19)17-22(20,21)15-10-8-14(3)9-11-15/h8-11H,4-7,12-13H2,1-3H3/b17-16-
InChIKeyRZADCZOBVHNDFX-MSUUIHNZSA-N
XLogP2.48
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(NZ)-N-(1,2-dipyrrolidin-1-ylethylidene)-4-methylbenzenesulfonamide
CID 5394786
N,N-diethyl-N'-(4-methylphenyl)sulfonyldodecanimidamide
CID 14580436
dimethyl (1Z,4Z)-1-N,4-N-bis-(4-methylphenyl)sulfonylpiperazine-1,4-dicarboximidothioate
CID 14981602
2-(4-methylphenyl)sulfonyl-1-piperidin-1-ylethanone
CID 56731899
N-methyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
CID 135006273
(4-methylphenyl)sulfonyloxymethyl pyrrolidine-1-carboxylate
CID 140882249
(4-methylphenyl)-pyrrolidin-1-ylmethanone;propane
CID 143994279
N,N-diethyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 15318368
N-ethyl-N-methyl-N'-(4-methylphenyl)sulfonylmethanimidamide
CID 146170089
N-(1-ethylpyrrolidin-2-ylidene)-4-methylbenzenesulfonamide
CID 3079975
N-ethyl-N-(4-methylphenyl)azepane-1-carboxamide
CID 116655376
N,N-diethyl-4-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]piperazine-1-carboxamide
CID 34217753

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-N'-(4-methylphenyl)sulfonylpyrrolidine-1-carboximidamide?
The IUPAC name of N,N-diethyl-N'-(4-methylphenyl)sulfonylpyrrolidine-1-carboximidamide (CID 10881850) is N,N-diethyl-N'-(4-methylphenyl)sulfonylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N,N-diethyl-N'-(4-methylphenyl)sulfonylpyrrolidine-1-carboximidamide?
The canonical SMILES for N,N-diethyl-N'-(4-methylphenyl)sulfonylpyrrolidine-1-carboximidamide is CCN(CC)/C(=N/S(=O)(=O)c1ccc(C)cc1)N1CCCC1.
What is the InChIKey of N,N-diethyl-N'-(4-methylphenyl)sulfonylpyrrolidine-1-carboximidamide?
The InChIKey is RZADCZOBVHNDFX-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-4-18(5-2)16(19-12-6-7-13-19)17-22(20,21)15-10-8-14(3)9-11-15/h8-11H,4-7,12-13H2,1-3H3/b17-16-.
What are the key properties of N,N-diethyl-N'-(4-methylphenyl)sulfonylpyrrolidine-1-carboximidamide?
N,N-diethyl-N'-(4-methylphenyl)sulfonylpyrrolidine-1-carboximidamide has a molecular weight of 323.46 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-N'-(4-methylphenyl)sulfonylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 10881850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).