[3-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine

C11H18N2O2S2 — CID 17221119

IUPAC[3-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
SMILESCC1CCN(S(=O)(=O)c2ccsc2CN)CC1
InChIInChI=1S/C11H18N2O2S2/c1-9-2-5-13(6-3-9)17(14,15)11-4-7-16-10(11)8-12/h4,7,9H,2-3,5-6,8,12H2,1H3
InChIKeyOFSBBBIAJPGHPY-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.63
Rot. Bonds3

About [3-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine

[3-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine (PubChem CID 17221119) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is [3-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[3-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
PubChem CID17221119
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC Name[3-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
SMILESCC1CCN(S(=O)(=O)c2ccsc2CN)CC1
InChIInChI=1S/C11H18N2O2S2/c1-9-2-5-13(6-3-9)17(14,15)11-4-7-16-10(11)8-12/h4,7,9H,2-3,5-6,8,12H2,1H3
InChIKeyOFSBBBIAJPGHPY-UHFFFAOYSA-N
XLogP1.63
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3-methoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 103541448
[3-[(2S)-2-methylpiperidin-1-yl]sulfonylthiophen-2-yl]methanamine
CID 26585324
[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
[3-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 106996541
1-[2-(chloromethyl)thiophen-3-yl]sulfonyl-3-methoxy-4-methylpiperidine
CID 102969021
1-[2-(chloromethyl)thiophen-3-yl]sulfonylazepane
CID 29022148
2-(aminomethyl)-N-(2-methylcyclohexyl)thiophene-3-sulfonamide
CID 114132163
1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine
CID 79187058
4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 841440
5-bromo-2-(4-methylpiperidin-1-yl)sulfonylaniline
CID 43256810
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
2-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]thiophene-3-sulfonamide
CID 106012613

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine?
The IUPAC name of [3-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine (CID 17221119) is [3-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine.
What is the SMILES notation for [3-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine?
The canonical SMILES for [3-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine is CC1CCN(S(=O)(=O)c2ccsc2CN)CC1.
What is the InChIKey of [3-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine?
The InChIKey is OFSBBBIAJPGHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-9-2-5-13(6-3-9)17(14,15)11-4-7-16-10(11)8-12/h4,7,9H,2-3,5-6,8,12H2,1H3.
What are the key properties of [3-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine?
[3-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine has a molecular weight of 274.41 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine is sourced from PubChem (CID 17221119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).