[(2R)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanol

C10H15NO3S2 — CID 39086699

IUPAC[(2R)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanol
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H]2CO)s1
InChIInChI=1S/C10H15NO3S2/c1-8-4-5-10(15-8)16(13,14)11-6-2-3-9(11)7-12/h4-5,9,12H,2-3,6-7H2,1H3/t9-/m1/s1
InChIKeyREZWOAJZMMNMDK-SECBINFHSA-N
MW261.37 g/mol
LogP1.20
Rot. Bonds3

About [(2R)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanol

[(2R)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 39086699) has the molecular formula C10H15NO3S2 and a molecular weight of 261.37 g/mol. Its IUPAC name is [(2R)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID39086699
Molecular FormulaC10H15NO3S2
Molecular Weight261.37 g/mol
Exact Mass261.05
IUPAC Name[(2R)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanol
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H]2CO)s1
InChIInChI=1S/C10H15NO3S2/c1-8-4-5-10(15-8)16(13,14)11-6-2-3-9(11)7-12/h4-5,9,12H,2-3,6-7H2,1H3/t9-/m1/s1
InChIKeyREZWOAJZMMNMDK-SECBINFHSA-N
XLogP1.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanol (CID 39086699) is [(2R)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanol is Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CO)s1.
What is the InChIKey of [(2R)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is REZWOAJZMMNMDK-SECBINFHSA-N. The full InChI is InChI=1S/C10H15NO3S2/c1-8-4-5-10(15-8)16(13,14)11-6-2-3-9(11)7-12/h4-5,9,12H,2-3,6-7H2,1H3/t9-/m1/s1.
What are the key properties of [(2R)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanol?
[(2R)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 261.37 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 39086699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).