[4-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methoxyphenyl]methanamine

C14H22N2O3S — CID 102704769

IUPAC[4-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methoxyphenyl]methanamine
SMILESCOc1cc(CN)ccc1S(=O)(=O)N1CC(C)CC1C
InChIInChI=1S/C14H22N2O3S/c1-10-6-11(2)16(9-10)20(17,18)14-5-4-12(8-15)7-13(14)19-3/h4-5,7,10-11H,6,8-9,15H2,1-3H3
InChIKeyVUECFNJLTIWDQY-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.57
Rot. Bonds4

About [4-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methoxyphenyl]methanamine

[4-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methoxyphenyl]methanamine (PubChem CID 102704769) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is [4-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[4-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methoxyphenyl]methanamine
PubChem CID102704769
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name[4-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methoxyphenyl]methanamine
SMILESCOc1cc(CN)ccc1S(=O)(=O)N1CC(C)CC1C
InChIInChI=1S/C14H22N2O3S/c1-10-6-11(2)16(9-10)20(17,18)14-5-4-12(8-15)7-13(14)19-3/h4-5,7,10-11H,6,8-9,15H2,1-3H3
InChIKeyVUECFNJLTIWDQY-UHFFFAOYSA-N
XLogP1.57
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-3-methoxyphenyl]methanamine
CID 102704762
[3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 106997178
[1-(2-methoxy-4-nitrophenyl)sulfonyl-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120582087
[4-(2,5-dimethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanamine
CID 79186896
[4-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine
CID 84754831
3-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-2,5-diethylaniline
CID 107407046
(2R,5S)-1,4-bis[(3,4-dimethoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 23654829
4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methoxybenzenesulfonamide
CID 102704778
[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonyl-4-methoxyphenyl]methanamine
CID 83220075
4-(aminomethyl)-N-hexan-3-yl-2-methoxybenzenesulfonamide
CID 106055431
1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 43845453
4-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzenesulfonamide
CID 106054924

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methoxyphenyl]methanamine?
The IUPAC name of [4-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methoxyphenyl]methanamine (CID 102704769) is [4-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methoxyphenyl]methanamine.
What is the SMILES notation for [4-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methoxyphenyl]methanamine?
The canonical SMILES for [4-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methoxyphenyl]methanamine is COc1cc(CN)ccc1S(=O)(=O)N1CC(C)CC1C.
What is the InChIKey of [4-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methoxyphenyl]methanamine?
The InChIKey is VUECFNJLTIWDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10-6-11(2)16(9-10)20(17,18)14-5-4-12(8-15)7-13(14)19-3/h4-5,7,10-11H,6,8-9,15H2,1-3H3.
What are the key properties of [4-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methoxyphenyl]methanamine?
[4-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methoxyphenyl]methanamine has a molecular weight of 298.41 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methoxyphenyl]methanamine is sourced from PubChem (CID 102704769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).