[3-(3-methoxypyrrolidin-1-yl)sulfonyl-4,5-dimethylphenyl]methanamine

C14H22N2O3S — CID 103541381

IUPAC[3-(3-methoxypyrrolidin-1-yl)sulfonyl-4,5-dimethylphenyl]methanamine
SMILESCOC1CCN(S(=O)(=O)c2cc(CN)cc(C)c2C)C1
InChIInChI=1S/C14H22N2O3S/c1-10-6-12(8-15)7-14(11(10)2)20(17,18)16-5-4-13(9-16)19-3/h6-7,13H,4-5,8-9,15H2,1-3H3
InChIKeyAZJCFRPEVVXMMD-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.17
Rot. Bonds4

About [3-(3-methoxypyrrolidin-1-yl)sulfonyl-4,5-dimethylphenyl]methanamine

[3-(3-methoxypyrrolidin-1-yl)sulfonyl-4,5-dimethylphenyl]methanamine (PubChem CID 103541381) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is [3-(3-methoxypyrrolidin-1-yl)sulfonyl-4,5-dimethylphenyl]methanamine.

Molecular Properties

Compound Name[3-(3-methoxypyrrolidin-1-yl)sulfonyl-4,5-dimethylphenyl]methanamine
PubChem CID103541381
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name[3-(3-methoxypyrrolidin-1-yl)sulfonyl-4,5-dimethylphenyl]methanamine
SMILESCOC1CCN(S(=O)(=O)c2cc(CN)cc(C)c2C)C1
InChIInChI=1S/C14H22N2O3S/c1-10-6-12(8-15)7-14(11(10)2)20(17,18)16-5-4-13(9-16)19-3/h6-7,13H,4-5,8-9,15H2,1-3H3
InChIKeyAZJCFRPEVVXMMD-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-fluoro-5-(3-methoxypiperidin-1-yl)sulfonyl-4-methylphenyl]methanamine
CID 102971771
1-[5-(chloromethyl)-2,3-dimethylphenyl]sulfonyl-3-methoxypiperidine
CID 102969093
3-(3-methoxypyrrolidin-1-yl)sulfonyl-4,5-dimethylbenzoic acid
CID 103531357
[3-bromo-5-(3-methoxypyrrolidin-1-yl)sulfonyl-4-methylphenyl]methanol
CID 103541087
3-fluoro-5-(3-methoxypyrrolidin-1-yl)sulfonyl-4-methylaniline
CID 103530274
[3-(3-methoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 103541448
[5-chloro-3-(3-methoxypyrrolidin-1-yl)sulfonyl-2-methylphenyl]methanol
CID 103541089
3-(3-methoxypiperidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 102955371
[3-(3-methoxypiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 102971809
[4-(3-methoxypyrrolidin-1-yl)sulfonyl-2,5-dimethylfuran-3-yl]methanamine
CID 103541275
[4-bromo-3-(4-ethylpiperidin-1-yl)sulfonyl-5-methylphenyl]methanamine
CID 114364518
5-methoxy-2-(3-methoxypyrrolidin-1-yl)sulfonylaniline
CID 103530263

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxypyrrolidin-1-yl)sulfonyl-4,5-dimethylphenyl]methanamine?
The IUPAC name of [3-(3-methoxypyrrolidin-1-yl)sulfonyl-4,5-dimethylphenyl]methanamine (CID 103541381) is [3-(3-methoxypyrrolidin-1-yl)sulfonyl-4,5-dimethylphenyl]methanamine.
What is the SMILES notation for [3-(3-methoxypyrrolidin-1-yl)sulfonyl-4,5-dimethylphenyl]methanamine?
The canonical SMILES for [3-(3-methoxypyrrolidin-1-yl)sulfonyl-4,5-dimethylphenyl]methanamine is COC1CCN(S(=O)(=O)c2cc(CN)cc(C)c2C)C1.
What is the InChIKey of [3-(3-methoxypyrrolidin-1-yl)sulfonyl-4,5-dimethylphenyl]methanamine?
The InChIKey is AZJCFRPEVVXMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10-6-12(8-15)7-14(11(10)2)20(17,18)16-5-4-13(9-16)19-3/h6-7,13H,4-5,8-9,15H2,1-3H3.
What are the key properties of [3-(3-methoxypyrrolidin-1-yl)sulfonyl-4,5-dimethylphenyl]methanamine?
[3-(3-methoxypyrrolidin-1-yl)sulfonyl-4,5-dimethylphenyl]methanamine has a molecular weight of 298.41 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxypyrrolidin-1-yl)sulfonyl-4,5-dimethylphenyl]methanamine is sourced from PubChem (CID 103541381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).