1-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-2-yl]-N-methylethanamine

C12H18Cl2N2O2S2 — CID 63854549

IUPAC1-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-2-yl]-N-methylethanamine
SMILESCNC(C)C1CCCCN1S(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H18Cl2N2O2S2/c1-8(15-2)9-5-3-4-6-16(9)20(17,18)10-7-11(13)19-12(10)14/h7-9,15H,3-6H2,1-2H3
InChIKeyPHJHNMXJAFLALR-UHFFFAOYSA-N
MW357.33 g/mol
LogP3.21
Rot. Bonds4

About 1-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-2-yl]-N-methylethanamine

1-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-2-yl]-N-methylethanamine (PubChem CID 63854549) has the molecular formula C12H18Cl2N2O2S2 and a molecular weight of 357.33 g/mol. Its IUPAC name is 1-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-2-yl]-N-methylethanamine
PubChem CID63854549
Molecular FormulaC12H18Cl2N2O2S2
Molecular Weight357.33 g/mol
Exact Mass356.02
IUPAC Name1-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-2-yl]-N-methylethanamine
SMILESCNC(C)C1CCCCN1S(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H18Cl2N2O2S2/c1-8(15-2)9-5-3-4-6-16(9)20(17,18)10-7-11(13)19-12(10)14/h7-9,15H,3-6H2,1-2H3
InChIKeyPHJHNMXJAFLALR-UHFFFAOYSA-N
XLogP3.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpiperidine
CID 3758298
1-[1-(benzenesulfonyl)piperidin-2-yl]-N-methylethanamine
CID 55256671
[(2S)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanol
CID 66261155
N-methyl-2-[1-(methylamino)ethyl]piperidine-1-sulfonamide
CID 114803152
N-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine
CID 55256669
N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-2-yl]ethanamine
CID 102690331
1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine
CID 63852803
1-(1-benzylsulfonylpiperidin-2-yl)-N-methylethanamine
CID 63854206
1-[1-(2,5-dibromothiophen-3-yl)sulfonylpiperidin-2-yl]ethanamine
CID 55169537
2-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718381
1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-4-ol
CID 43502793
methyl 4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-3-carboxylate
CID 115672109

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-2-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-2-yl]-N-methylethanamine (CID 63854549) is 1-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-2-yl]-N-methylethanamine is CNC(C)C1CCCCN1S(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-2-yl]-N-methylethanamine?
The InChIKey is PHJHNMXJAFLALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O2S2/c1-8(15-2)9-5-3-4-6-16(9)20(17,18)10-7-11(13)19-12(10)14/h7-9,15H,3-6H2,1-2H3.
What are the key properties of 1-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-2-yl]-N-methylethanamine?
1-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-2-yl]-N-methylethanamine has a molecular weight of 357.33 g/mol, XLogP of 3.21, 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-dichlorothiophen-3-yl)sulfonylpiperidin-2-yl]-N-methylethanamine is sourced from PubChem (CID 63854549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).