[3-(3-methoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine

C10H16N2O3S2 — CID 103541448

IUPAC[3-(3-methoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine
SMILESCOC1CCN(S(=O)(=O)c2ccsc2CN)C1
InChIInChI=1S/C10H16N2O3S2/c1-15-8-2-4-12(7-8)17(13,14)10-3-5-16-9(10)6-11/h3,5,8H,2,4,6-7,11H2,1H3
InChIKeyCLXXXIVORAHXHY-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.62
Rot. Bonds4

About [3-(3-methoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine

[3-(3-methoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine (PubChem CID 103541448) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [3-(3-methoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[3-(3-methoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine
PubChem CID103541448
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC Name[3-(3-methoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine
SMILESCOC1CCN(S(=O)(=O)c2ccsc2CN)C1
InChIInChI=1S/C10H16N2O3S2/c1-15-8-2-4-12(7-8)17(13,14)10-3-5-16-9(10)6-11/h3,5,8H,2,4,6-7,11H2,1H3
InChIKeyCLXXXIVORAHXHY-UHFFFAOYSA-N
XLogP0.62
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 17221119
N-[[3-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine
CID 102971861
[3-(3-methoxypyrrolidin-1-yl)sulfonyl-4,5-dimethylphenyl]methanamine
CID 103541381
1-[2-(chloromethyl)thiophen-3-yl]sulfonyl-3-methoxy-4-methylpiperidine
CID 102969021
[3-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-2-yl]methanamine
CID 26585324
5-methoxy-2-(3-methoxypyrrolidin-1-yl)sulfonylaniline
CID 103530263
2-[4-(3-methoxypyrrolidin-1-yl)sulfonylphenoxy]ethanamine
CID 103541412
[3-(3-methoxypiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 102971809
3-(3-methoxypyrrolidin-1-yl)sulfonyl-1H-indol-6-amine
CID 103530237
4-(3-methoxypyrrolidin-1-yl)sulfonyl-3-nitroaniline
CID 103538293
3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
CID 108781063
[3-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)sulfonyl]thiophen-2-yl]methanamine
CID 79919969

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine?
The IUPAC name of [3-(3-methoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine (CID 103541448) is [3-(3-methoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine.
What is the SMILES notation for [3-(3-methoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine?
The canonical SMILES for [3-(3-methoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine is COC1CCN(S(=O)(=O)c2ccsc2CN)C1.
What is the InChIKey of [3-(3-methoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine?
The InChIKey is CLXXXIVORAHXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c1-15-8-2-4-12(7-8)17(13,14)10-3-5-16-9(10)6-11/h3,5,8H,2,4,6-7,11H2,1H3.
What are the key properties of [3-(3-methoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine?
[3-(3-methoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine has a molecular weight of 276.38 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine is sourced from PubChem (CID 103541448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).