1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine

C9H14N2O2S2 — CID 62067377

IUPAC1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(N)C2)s1
InChIInChI=1S/C9H14N2O2S2/c1-7-2-3-9(14-7)15(12,13)11-5-4-8(10)6-11/h2-3,8H,4-6,10H2,1H3
InChIKeyJZTKRFLQDYMIBI-UHFFFAOYSA-N
MW246.36 g/mol
LogP0.78
Rot. Bonds2

About 1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine

1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine (PubChem CID 62067377) has the molecular formula C9H14N2O2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine
PubChem CID62067377
Molecular FormulaC9H14N2O2S2
Molecular Weight246.36 g/mol
Exact Mass246.05
IUPAC Name1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(N)C2)s1
InChIInChI=1S/C9H14N2O2S2/c1-7-2-3-9(14-7)15(12,13)11-5-4-8(10)6-11/h2-3,8H,4-6,10H2,1H3
InChIKeyJZTKRFLQDYMIBI-UHFFFAOYSA-N
XLogP0.78
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971533
(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993403
3-ethyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-amine
CID 81458222
3-(cyclopropylmethoxy)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
CID 121197707
3-benzyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
CID 110874340
3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 4729251
1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]ethanamine
CID 63595170
(3S)-1-(5-chloro-4-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 103100505
2-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]acetic acid
CID 78980451
1-thiophen-2-ylsulfonylpyrrolidin-3-amine
CID 62069517
(3R)-3-(4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
CID 94919570
1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrrolidine-2,5-dione
CID 113083144

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine?
The IUPAC name of 1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine (CID 62067377) is 1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine is Cc1ccc(S(=O)(=O)N2CCC(N)C2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine?
The InChIKey is JZTKRFLQDYMIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S2/c1-7-2-3-9(14-7)15(12,13)11-5-4-8(10)6-11/h2-3,8H,4-6,10H2,1H3.
What are the key properties of 1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine?
1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine has a molecular weight of 246.36 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 62067377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).