N-ethyl-N-(4-ethylsulfonylphenyl)pyrrolidin-3-amine

C14H22N2O2S — CID 63300108

IUPACN-ethyl-N-(4-ethylsulfonylphenyl)pyrrolidin-3-amine
SMILESCCN(c1ccc(S(=O)(=O)CC)cc1)C1CCNC1
InChIInChI=1S/C14H22N2O2S/c1-3-16(13-9-10-15-11-13)12-5-7-14(8-6-12)19(17,18)4-2/h5-8,13,15H,3-4,9-11H2,1-2H3
InChIKeyZXFYZMWXBRUAGS-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.67
Rot. Bonds5

About N-ethyl-N-(4-ethylsulfonylphenyl)pyrrolidin-3-amine

N-ethyl-N-(4-ethylsulfonylphenyl)pyrrolidin-3-amine (PubChem CID 63300108) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-ethyl-N-(4-ethylsulfonylphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(4-ethylsulfonylphenyl)pyrrolidin-3-amine
PubChem CID63300108
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-ethyl-N-(4-ethylsulfonylphenyl)pyrrolidin-3-amine
SMILESCCN(c1ccc(S(=O)(=O)CC)cc1)C1CCNC1
InChIInChI=1S/C14H22N2O2S/c1-3-16(13-9-10-15-11-13)12-5-7-14(8-6-12)19(17,18)4-2/h5-8,13,15H,3-4,9-11H2,1-2H3
InChIKeyZXFYZMWXBRUAGS-UHFFFAOYSA-N
XLogP1.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl(pyrrolidin-3-yl)amino]-N,N-dimethylbenzenesulfonamide
CID 63300290
N-(4-bromophenyl)-N-ethylpyrrolidin-3-amine
CID 70794412
4-ethylsulfonyl-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119554037
N-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine
CID 63642004
N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60806159
N-(2-ethylsulfonylphenyl)-N-propylpyrrolidin-3-amine
CID 63304180
N,4-diethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55205527
4-chloro-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299171
3-[2-(4-ethylsulfonylphenyl)ethyl]pyrrolidine
CID 116925480
N-ethyl-N-(3-fluoro-5-nitrophenyl)pyrrolidin-3-amine
CID 55205151
(3S)-N-(4-ethylsulfonylphenyl)-N-methyloxolan-3-amine
CID 100663961
4-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299749

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-ethylsulfonylphenyl)pyrrolidin-3-amine?
The IUPAC name of N-ethyl-N-(4-ethylsulfonylphenyl)pyrrolidin-3-amine (CID 63300108) is N-ethyl-N-(4-ethylsulfonylphenyl)pyrrolidin-3-amine.
What is the SMILES notation for N-ethyl-N-(4-ethylsulfonylphenyl)pyrrolidin-3-amine?
The canonical SMILES for N-ethyl-N-(4-ethylsulfonylphenyl)pyrrolidin-3-amine is CCN(c1ccc(S(=O)(=O)CC)cc1)C1CCNC1.
What is the InChIKey of N-ethyl-N-(4-ethylsulfonylphenyl)pyrrolidin-3-amine?
The InChIKey is ZXFYZMWXBRUAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-16(13-9-10-15-11-13)12-5-7-14(8-6-12)19(17,18)4-2/h5-8,13,15H,3-4,9-11H2,1-2H3.
What are the key properties of N-ethyl-N-(4-ethylsulfonylphenyl)pyrrolidin-3-amine?
N-ethyl-N-(4-ethylsulfonylphenyl)pyrrolidin-3-amine has a molecular weight of 282.41 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-ethylsulfonylphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 63300108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).