[(2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidin-2-yl]methanol

C10H16N2O3S2 — CID 155565885

IUPAC[(2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidin-2-yl]methanol
SMILESNCc1ccc(S(=O)(=O)N2CCC[C@H]2CO)s1
InChIInChI=1S/C10H16N2O3S2/c11-6-9-3-4-10(16-9)17(14,15)12-5-1-2-8(12)7-13/h3-4,8,13H,1-2,5-7,11H2/t8-/m0/s1
InChIKeyGEAWFOJEYVRGSX-QMMMGPOBSA-N
MW276.38 g/mol
LogP0.35
Rot. Bonds4

About [(2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidin-2-yl]methanol

[(2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidin-2-yl]methanol (PubChem CID 155565885) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [(2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidin-2-yl]methanol
PubChem CID155565885
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC Name[(2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidin-2-yl]methanol
SMILESNCc1ccc(S(=O)(=O)N2CCC[C@H]2CO)s1
InChIInChI=1S/C10H16N2O3S2/c11-6-9-3-4-10(16-9)17(14,15)12-5-1-2-8(12)7-13/h3-4,8,13H,1-2,5-7,11H2/t8-/m0/s1
InChIKeyGEAWFOJEYVRGSX-QMMMGPOBSA-N
XLogP0.35
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10807974, Example 43
CID 130345141
5-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 107480949
5-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 107480969
N-[1-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-5-(hydroxymethyl)pyrrolidin-3-yl]prop-2-enamide
CID 89238221
[1-[3-[5-(Aminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylpyrrolidin-2-yl]methanol
CID 130345142
[(2S)-1-[3-[5-(methylaminomethyl)thiophen-2-yl]sulfonylphenyl]sulfonylpyrrolidin-2-yl]methanol
CID 130358192
[5-[3-[(2S)-2-(butoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]sulfonylthiophen-2-yl]methanamine
CID 130358520
[(2S)-1-(3-thiophen-2-ylsulfanylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 175606985
(5-(Pyrrolidin-1-ylsulfonyl)thiophen-2-yl)methanamine
CID 16227278
[(2S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanol
CID 28345674
[(2S)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanol
CID 28345675
[(2R)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanol
CID 39086699

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidin-2-yl]methanol (CID 155565885) is [(2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidin-2-yl]methanol is NCc1ccc(S(=O)(=O)N2CCC[C@H]2CO)s1.
What is the InChIKey of [(2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is GEAWFOJEYVRGSX-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c11-6-9-3-4-10(16-9)17(14,15)12-5-1-2-8(12)7-13/h3-4,8,13H,1-2,5-7,11H2/t8-/m0/s1.
What are the key properties of [(2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidin-2-yl]methanol?
[(2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 276.38 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 155565885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).