N-methyl-1-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]methanamine

C14H22N2O2S — CID 62513794

IUPACN-methyl-1-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(Cc2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C14H22N2O2S/c1-15-9-13-7-8-16(11-13)10-12-3-5-14(6-4-12)19(2,17)18/h3-6,13,15H,7-11H2,1-2H3
InChIKeyFMXANTLGIBSBMR-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.13
Rot. Bonds5

About N-methyl-1-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]methanamine

N-methyl-1-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 62513794) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-methyl-1-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID62513794
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-methyl-1-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(Cc2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C14H22N2O2S/c1-15-9-13-7-8-16(11-13)10-12-3-5-14(6-4-12)19(2,17)18/h3-6,13,15H,7-11H2,1-2H3
InChIKeyFMXANTLGIBSBMR-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methanol
CID 122463493
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 63263866
1-[1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120838446
(3R)-N,N-dimethyl-1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyrrolidin-3-amine
CID 11631823
1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 65479043
(3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine
CID 99943201
5-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]pentanamide
CID 174927371
4-tert-butyl-1-[(4-methylsulfonylphenyl)methyl]piperidine
CID 58974928
2-methyl-5-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 75615184
N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119922021
N-methyl-1-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119922494

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]methanamine (CID 62513794) is N-methyl-1-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]methanamine is CNCC1CCN(Cc2ccc(S(C)(=O)=O)cc2)C1.
What is the InChIKey of N-methyl-1-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is FMXANTLGIBSBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-15-9-13-7-8-16(11-13)10-12-3-5-14(6-4-12)19(2,17)18/h3-6,13,15H,7-11H2,1-2H3.
What are the key properties of N-methyl-1-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]methanamine?
N-methyl-1-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 282.41 g/mol, XLogP of 1.13, 5 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-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62513794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).