N-methyl-1-[1-(4-propylsulfonylphenyl)pyrrolidin-2-yl]methanamine

C15H24N2O2S — CID 62587078

IUPACN-methyl-1-[1-(4-propylsulfonylphenyl)pyrrolidin-2-yl]methanamine
SMILESCCCS(=O)(=O)c1ccc(N2CCCC2CNC)cc1
InChIInChI=1S/C15H24N2O2S/c1-3-11-20(18,19)15-8-6-13(7-9-15)17-10-4-5-14(17)12-16-2/h6-9,14,16H,3-5,10-12H2,1-2H3
InChIKeyDRPRJLGAFOMMDC-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.06
Rot. Bonds6

About N-methyl-1-[1-(4-propylsulfonylphenyl)pyrrolidin-2-yl]methanamine

N-methyl-1-[1-(4-propylsulfonylphenyl)pyrrolidin-2-yl]methanamine (PubChem CID 62587078) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-methyl-1-[1-(4-propylsulfonylphenyl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(4-propylsulfonylphenyl)pyrrolidin-2-yl]methanamine
PubChem CID62587078
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-methyl-1-[1-(4-propylsulfonylphenyl)pyrrolidin-2-yl]methanamine
SMILESCCCS(=O)(=O)c1ccc(N2CCCC2CNC)cc1
InChIInChI=1S/C15H24N2O2S/c1-3-11-20(18,19)15-8-6-13(7-9-15)17-10-4-5-14(17)12-16-2/h6-9,14,16H,3-5,10-12H2,1-2H3
InChIKeyDRPRJLGAFOMMDC-UHFFFAOYSA-N
XLogP2.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[2-(methylaminomethyl)piperidin-1-yl]benzenesulfonamide
CID 63253614
2-(2-bromoethyl)-1-(4-propylsulfonylphenyl)piperidine
CID 80655620
N-[[1-(4-methylsulfonylphenyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62592879
N-[[1-(4-methylsulfonylphenyl)piperidin-2-yl]methyl]propan-1-amine
CID 62592530
4-[2-(methylaminomethyl)pyrrolidin-1-yl]benzonitrile
CID 83704659
N-[[1-(4-methylsulfonylphenyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62592004
(4-ethylsulfonylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651635
1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]-N-methylmethanamine
CID 63250076
4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonic acid
CID 91451326
3-fluoro-4-[2-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 115317009
(3aS,6aS)-1-(4-propylsulfonylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 43599181
1-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-N-methylmethanamine
CID 62591940

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(4-propylsulfonylphenyl)pyrrolidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(4-propylsulfonylphenyl)pyrrolidin-2-yl]methanamine (CID 62587078) is N-methyl-1-[1-(4-propylsulfonylphenyl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(4-propylsulfonylphenyl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(4-propylsulfonylphenyl)pyrrolidin-2-yl]methanamine is CCCS(=O)(=O)c1ccc(N2CCCC2CNC)cc1.
What is the InChIKey of N-methyl-1-[1-(4-propylsulfonylphenyl)pyrrolidin-2-yl]methanamine?
The InChIKey is DRPRJLGAFOMMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-11-20(18,19)15-8-6-13(7-9-15)17-10-4-5-14(17)12-16-2/h6-9,14,16H,3-5,10-12H2,1-2H3.
What are the key properties of N-methyl-1-[1-(4-propylsulfonylphenyl)pyrrolidin-2-yl]methanamine?
N-methyl-1-[1-(4-propylsulfonylphenyl)pyrrolidin-2-yl]methanamine has a molecular weight of 296.44 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(4-propylsulfonylphenyl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 62587078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).