2-[5-(2-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine

C11H18N2O2S2 — CID 54882469

IUPAC2-[5-(2-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine
SMILESCC1CCCN1S(=O)(=O)c1ccc(CCN)s1
InChIInChI=1S/C11H18N2O2S2/c1-9-3-2-8-13(9)17(14,15)11-5-4-10(16-11)6-7-12/h4-5,9H,2-3,6-8,12H2,1H3
InChIKeyHOTGAAKDTNFINU-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.42
Rot. Bonds4

About 2-[5-(2-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine

2-[5-(2-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine (PubChem CID 54882469) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[5-(2-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine
PubChem CID54882469
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC Name2-[5-(2-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine
SMILESCC1CCCN1S(=O)(=O)c1ccc(CCN)s1
InChIInChI=1S/C11H18N2O2S2/c1-9-3-2-8-13(9)17(14,15)11-5-4-10(16-11)6-7-12/h4-5,9H,2-3,6-8,12H2,1H3
InChIKeyHOTGAAKDTNFINU-UHFFFAOYSA-N
XLogP1.42
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methylpyrrolidin-1-yl)sulfonylthiophene-2-carbothioamide
CID 106270508
1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine
CID 110728237
2-[5-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 102959737
1-[5-(2-aminoethyl)thiophen-2-yl]sulfonyl-N,N-dimethylpiperidin-4-amine
CID 43586343
1-[5-(2-aminoethyl)thiophen-2-yl]sulfonyl-4-methylpiperidin-3-ol
CID 102959677
1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-ol
CID 43520883
2-[5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 62992395
[1-[5-(2-aminoethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanol
CID 43520966
5-(2-methylazepan-1-yl)sulfonylthiophene-2-carbothioamide
CID 106271290
[5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]thiophen-2-yl]methanamine
CID 79942950
2-[5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophen-2-yl]ethanamine
CID 43520773
2-[5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 63540471

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine?
The IUPAC name of 2-[5-(2-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine (CID 54882469) is 2-[5-(2-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(2-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine?
The canonical SMILES for 2-[5-(2-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine is CC1CCCN1S(=O)(=O)c1ccc(CCN)s1.
What is the InChIKey of 2-[5-(2-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine?
The InChIKey is HOTGAAKDTNFINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-9-3-2-8-13(9)17(14,15)11-5-4-10(16-11)6-7-12/h4-5,9H,2-3,6-8,12H2,1H3.
What are the key properties of 2-[5-(2-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine?
2-[5-(2-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine has a molecular weight of 274.41 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine is sourced from PubChem (CID 54882469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).