1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine

C11H16Br2N2O2S2 — CID 63248513

IUPAC1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(S(=O)(=O)c2cc(Br)sc2Br)CC1
InChIInChI=1S/C11H16Br2N2O2S2/c1-14-7-8-2-4-15(5-3-8)19(16,17)9-6-10(12)18-11(9)13/h6,8,14H,2-5,7H2,1H3
InChIKeyKFBFXMWXYPHKQW-UHFFFAOYSA-N
MW432.20 g/mol
LogP2.89
Rot. Bonds4

About 1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine

1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine (PubChem CID 63248513) has the molecular formula C11H16Br2N2O2S2 and a molecular weight of 432.20 g/mol. Its IUPAC name is 1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine
PubChem CID63248513
Molecular FormulaC11H16Br2N2O2S2
Molecular Weight432.20 g/mol
Exact Mass429.90
IUPAC Name1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(S(=O)(=O)c2cc(Br)sc2Br)CC1
InChIInChI=1S/C11H16Br2N2O2S2/c1-14-7-8-2-4-15(5-3-8)19(16,17)9-6-10(12)18-11(9)13/h6,8,14H,2-5,7H2,1H3
InChIKeyKFBFXMWXYPHKQW-UHFFFAOYSA-N
XLogP2.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.20
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine (CID 63248513) is 1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine is CNCC1CCN(S(=O)(=O)c2cc(Br)sc2Br)CC1.
What is the InChIKey of 1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine?
The InChIKey is KFBFXMWXYPHKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N2O2S2/c1-14-7-8-2-4-15(5-3-8)19(16,17)9-6-10(12)18-11(9)13/h6,8,14H,2-5,7H2,1H3.
What are the key properties of 1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine?
1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine has a molecular weight of 432.20 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 63248513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).