N-(2-ethylsulfonylphenyl)-1-methylpyrrolidin-3-amine

C13H20N2O2S — CID 61465017

IUPACN-(2-ethylsulfonylphenyl)-1-methylpyrrolidin-3-amine
SMILESCCS(=O)(=O)c1ccccc1NC1CCN(C)C1
InChIInChI=1S/C13H20N2O2S/c1-3-18(16,17)13-7-5-4-6-12(13)14-11-8-9-15(2)10-11/h4-7,11,14H,3,8-10H2,1-2H3
InChIKeyKJZDRYYPGZGVFU-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.60
Rot. Bonds4

About N-(2-ethylsulfonylphenyl)-1-methylpyrrolidin-3-amine

N-(2-ethylsulfonylphenyl)-1-methylpyrrolidin-3-amine (PubChem CID 61465017) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(2-ethylsulfonylphenyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2-ethylsulfonylphenyl)-1-methylpyrrolidin-3-amine
PubChem CID61465017
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-(2-ethylsulfonylphenyl)-1-methylpyrrolidin-3-amine
SMILESCCS(=O)(=O)c1ccccc1NC1CCN(C)C1
InChIInChI=1S/C13H20N2O2S/c1-3-18(16,17)13-7-5-4-6-12(13)14-11-8-9-15(2)10-11/h4-7,11,14H,3,8-10H2,1-2H3
InChIKeyKJZDRYYPGZGVFU-UHFFFAOYSA-N
XLogP1.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylsulfonylphenyl)-1-propan-2-ylpiperidin-4-amine
CID 43738170
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CID 64500030
N-(2-ethylsulfonylphenyl)oxan-4-amine
CID 43610395
N-[2-(aminomethyl)phenyl]-1-methylpyrrolidin-3-amine
CID 82506999
1-methyl-N-(2-methylphenyl)pyrrolidin-3-amine
CID 62976686
N-(2-chlorophenyl)-1-methylpyrrolidin-3-amine
CID 62975578
2-[[(3R)-1-ethylpyrrolidin-3-yl]amino]benzenesulfonamide
CID 141356617
cis-(1S,3R)-3-N-(2-ethylsulfonylphenyl)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 99858148
N-(2-propylsulfonylphenyl)pyrrolidin-3-amine
CID 62380993
1-cyclopentyl-N-(2-methylsulfonylphenyl)pyrrolidin-3-amine
CID 71871132
2-(ethylamino)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 62146904

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylphenyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of N-(2-ethylsulfonylphenyl)-1-methylpyrrolidin-3-amine (CID 61465017) is N-(2-ethylsulfonylphenyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-(2-ethylsulfonylphenyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-(2-ethylsulfonylphenyl)-1-methylpyrrolidin-3-amine is CCS(=O)(=O)c1ccccc1NC1CCN(C)C1.
What is the InChIKey of N-(2-ethylsulfonylphenyl)-1-methylpyrrolidin-3-amine?
The InChIKey is KJZDRYYPGZGVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-18(16,17)13-7-5-4-6-12(13)14-11-8-9-15(2)10-11/h4-7,11,14H,3,8-10H2,1-2H3.
What are the key properties of N-(2-ethylsulfonylphenyl)-1-methylpyrrolidin-3-amine?
N-(2-ethylsulfonylphenyl)-1-methylpyrrolidin-3-amine has a molecular weight of 268.38 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylphenyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 61465017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).