[4-(3-methoxypyrrolidin-1-yl)sulfonyl-2,5-dimethylfuran-3-yl]methanamine

C12H20N2O4S — CID 103541275

IUPAC[4-(3-methoxypyrrolidin-1-yl)sulfonyl-2,5-dimethylfuran-3-yl]methanamine
SMILESCOC1CCN(S(=O)(=O)c2c(C)oc(C)c2CN)C1
InChIInChI=1S/C12H20N2O4S/c1-8-11(6-13)12(9(2)18-8)19(15,16)14-5-4-10(7-14)17-3/h10H,4-7,13H2,1-3H3
InChIKeyNVUGGVYAQYXEAN-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.76
Rot. Bonds4

About [4-(3-methoxypyrrolidin-1-yl)sulfonyl-2,5-dimethylfuran-3-yl]methanamine

[4-(3-methoxypyrrolidin-1-yl)sulfonyl-2,5-dimethylfuran-3-yl]methanamine (PubChem CID 103541275) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is [4-(3-methoxypyrrolidin-1-yl)sulfonyl-2,5-dimethylfuran-3-yl]methanamine.

Molecular Properties

Compound Name[4-(3-methoxypyrrolidin-1-yl)sulfonyl-2,5-dimethylfuran-3-yl]methanamine
PubChem CID103541275
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name[4-(3-methoxypyrrolidin-1-yl)sulfonyl-2,5-dimethylfuran-3-yl]methanamine
SMILESCOC1CCN(S(=O)(=O)c2c(C)oc(C)c2CN)C1
InChIInChI=1S/C12H20N2O4S/c1-8-11(6-13)12(9(2)18-8)19(15,16)14-5-4-10(7-14)17-3/h10H,4-7,13H2,1-3H3
InChIKeyNVUGGVYAQYXEAN-UHFFFAOYSA-N
XLogP0.76
TPSA85.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(3-methoxypyrrolidin-1-yl)sulfonyl-4,5-dimethylphenyl]methanamine
CID 103541381
[3-(3-methoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 103541448
3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
CID 108781063
3-(chloromethyl)-4-(3-methoxypyrrolidin-1-yl)sulfonyl-5-methyl-1H-pyrazole
CID 103541223
4-(3-methoxypyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1-propan-2-ylpyrazole
CID 131934907
(3R)-3-methoxy-1-methylsulfonylpyrrolidine
CID 121246941
3-(3-methoxypyrrolidin-1-yl)sulfonylpropan-1-amine
CID 103532634
2-[4-(3-methoxypyrrolidin-1-yl)sulfonylphenoxy]ethanamine
CID 103541412
[2-chloro-3-fluoro-5-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methanamine
CID 103541465
3-(3-methoxypyrrolidin-1-yl)sulfonyl-4,5-dimethylbenzoic acid
CID 103531357
2-(3-methoxypyrrolidin-1-yl)sulfonylacetic acid
CID 103531325
5-[(3S)-3-methoxypyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole
CID 154738268

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxypyrrolidin-1-yl)sulfonyl-2,5-dimethylfuran-3-yl]methanamine?
The IUPAC name of [4-(3-methoxypyrrolidin-1-yl)sulfonyl-2,5-dimethylfuran-3-yl]methanamine (CID 103541275) is [4-(3-methoxypyrrolidin-1-yl)sulfonyl-2,5-dimethylfuran-3-yl]methanamine.
What is the SMILES notation for [4-(3-methoxypyrrolidin-1-yl)sulfonyl-2,5-dimethylfuran-3-yl]methanamine?
The canonical SMILES for [4-(3-methoxypyrrolidin-1-yl)sulfonyl-2,5-dimethylfuran-3-yl]methanamine is COC1CCN(S(=O)(=O)c2c(C)oc(C)c2CN)C1.
What is the InChIKey of [4-(3-methoxypyrrolidin-1-yl)sulfonyl-2,5-dimethylfuran-3-yl]methanamine?
The InChIKey is NVUGGVYAQYXEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-8-11(6-13)12(9(2)18-8)19(15,16)14-5-4-10(7-14)17-3/h10H,4-7,13H2,1-3H3.
What are the key properties of [4-(3-methoxypyrrolidin-1-yl)sulfonyl-2,5-dimethylfuran-3-yl]methanamine?
[4-(3-methoxypyrrolidin-1-yl)sulfonyl-2,5-dimethylfuran-3-yl]methanamine has a molecular weight of 288.37 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxypyrrolidin-1-yl)sulfonyl-2,5-dimethylfuran-3-yl]methanamine is sourced from PubChem (CID 103541275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).