(3R)-N,N-dimethyl-1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyrrolidin-3-amine

C20H26N2O2S — CID 11631823

IUPAC(3R)-N,N-dimethyl-1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyrrolidin-3-amine
SMILESCN(C)[C@@H]1CCN(Cc2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)C1
InChIInChI=1S/C20H26N2O2S/c1-21(2)19-12-13-22(15-19)14-16-4-6-17(7-5-16)18-8-10-20(11-9-18)25(3,23)24/h4-11,19H,12-15H2,1-3H3/t19-/m1/s1
InChIKeyARALHPMPAQGVQU-LJQANCHMSA-N
MW358.51 g/mol
LogP2.89
Rot. Bonds5

About (3R)-N,N-dimethyl-1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyrrolidin-3-amine

(3R)-N,N-dimethyl-1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyrrolidin-3-amine (PubChem CID 11631823) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyrrolidin-3-amine
PubChem CID11631823
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name(3R)-N,N-dimethyl-1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyrrolidin-3-amine
SMILESCN(C)[C@@H]1CCN(Cc2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)C1
InChIInChI=1S/C20H26N2O2S/c1-21(2)19-12-13-22(15-19)14-16-4-6-17(7-5-16)18-8-10-20(11-9-18)25(3,23)24/h4-11,19H,12-15H2,1-3H3/t19-/m1/s1
InChIKeyARALHPMPAQGVQU-LJQANCHMSA-N
XLogP2.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrrolidin-3-amine
CID 11695061
4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]benzoic acid
CID 90269710
1-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 77453260
N-methyl-1-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62513794
(3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine
CID 99943201
(3R)-3-[(2-chloro-5-methylsulfonylphenyl)sulfonylmethyl]-1-[(4-phenylphenyl)methyl]pyrrolidine
CID 161360524
[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methanol
CID 122463493
4-tert-butyl-1-[(4-methylsulfonylphenyl)methyl]piperidine
CID 58974928
3,3-dimethyl-1-[(4-methylsulfonylphenyl)methyl]piperidin-4-amine
CID 120781709
N-[3-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]phenyl]acetamide
CID 58590945
2-(4-methylphenyl)-5-[(3S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137446
2-amino-5-[4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 146427026

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-N,N-dimethyl-1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyrrolidin-3-amine (CID 11631823) is (3R)-N,N-dimethyl-1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N,N-dimethyl-1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-N,N-dimethyl-1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyrrolidin-3-amine is CN(C)[C@@H]1CCN(Cc2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)C1.
What is the InChIKey of (3R)-N,N-dimethyl-1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is ARALHPMPAQGVQU-LJQANCHMSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-21(2)19-12-13-22(15-19)14-16-4-6-17(7-5-16)18-8-10-20(11-9-18)25(3,23)24/h4-11,19H,12-15H2,1-3H3/t19-/m1/s1.
What are the key properties of (3R)-N,N-dimethyl-1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyrrolidin-3-amine?
(3R)-N,N-dimethyl-1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 358.51 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 11631823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).