1-[1-[3-(methoxymethyl)phenyl]sulfonylpyrrolidin-3-yl]-N-methylmethanamine

C14H22N2O3S — CID 119977844

IUPAC1-[1-[3-(methoxymethyl)phenyl]sulfonylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(S(=O)(=O)c2cccc(COC)c2)C1
InChIInChI=1S/C14H22N2O3S/c1-15-9-13-6-7-16(10-13)20(17,18)14-5-3-4-12(8-14)11-19-2/h3-5,8,13,15H,6-7,9-11H2,1-2H3
InChIKeyONPPSKNBJYBVKV-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.06
Rot. Bonds6

About 1-[1-[3-(methoxymethyl)phenyl]sulfonylpyrrolidin-3-yl]-N-methylmethanamine

1-[1-[3-(methoxymethyl)phenyl]sulfonylpyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 119977844) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-[1-[3-(methoxymethyl)phenyl]sulfonylpyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[3-(methoxymethyl)phenyl]sulfonylpyrrolidin-3-yl]-N-methylmethanamine
PubChem CID119977844
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-[1-[3-(methoxymethyl)phenyl]sulfonylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(S(=O)(=O)c2cccc(COC)c2)C1
InChIInChI=1S/C14H22N2O3S/c1-15-9-13-6-7-16(10-13)20(17,18)14-5-3-4-12(8-14)11-19-2/h3-5,8,13,15H,6-7,9-11H2,1-2H3
InChIKeyONPPSKNBJYBVKV-UHFFFAOYSA-N
XLogP1.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119977852
1-[1-(3-ethylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961401
N-methyl-1-[(3S)-1-[3-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine
CID 124686558
1-[1-(3-iodophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961461
1-[1-(3-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961100
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850
(3S,5S)-1-[3-(methoxymethyl)phenyl]sulfonyl-3,5-dimethylpiperidine
CID 95739230
(3R)-1-[3-(methoxymethyl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 136580990
N,N-dimethyl-3-[3-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 119960974
1-[1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977752
N-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 120998970
(3aS,7aR)-1-[3-(methoxymethyl)phenyl]sulfonyl-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
CID 166255301

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(methoxymethyl)phenyl]sulfonylpyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[3-(methoxymethyl)phenyl]sulfonylpyrrolidin-3-yl]-N-methylmethanamine (CID 119977844) is 1-[1-[3-(methoxymethyl)phenyl]sulfonylpyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[3-(methoxymethyl)phenyl]sulfonylpyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[3-(methoxymethyl)phenyl]sulfonylpyrrolidin-3-yl]-N-methylmethanamine is CNCC1CCN(S(=O)(=O)c2cccc(COC)c2)C1.
What is the InChIKey of 1-[1-[3-(methoxymethyl)phenyl]sulfonylpyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is ONPPSKNBJYBVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-15-9-13-6-7-16(10-13)20(17,18)14-5-3-4-12(8-14)11-19-2/h3-5,8,13,15H,6-7,9-11H2,1-2H3.
What are the key properties of 1-[1-[3-(methoxymethyl)phenyl]sulfonylpyrrolidin-3-yl]-N-methylmethanamine?
1-[1-[3-(methoxymethyl)phenyl]sulfonylpyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 298.41 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(methoxymethyl)phenyl]sulfonylpyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 119977844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).