1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-ol

C8H10ClNO3S2 — CID 6734978

IUPAC1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCC(O)C1
InChIInChI=1S/C8H10ClNO3S2/c9-7-1-2-8(14-7)15(12,13)10-4-3-6(11)5-10/h1-2,6,11H,3-5H2
InChIKeySZABDXWSDGFTBZ-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.16
Rot. Bonds2

About 1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-ol

1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-ol (PubChem CID 6734978) has the molecular formula C8H10ClNO3S2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-ol
PubChem CID6734978
Molecular FormulaC8H10ClNO3S2
Molecular Weight267.76 g/mol
Exact Mass266.98
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCC(O)C1
InChIInChI=1S/C8H10ClNO3S2/c9-7-1-2-8(14-7)15(12,13)10-4-3-6(11)5-10/h1-2,6,11H,3-5H2
InChIKeySZABDXWSDGFTBZ-UHFFFAOYSA-N
XLogP1.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-ol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-ol (CID 6734978) is 1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-ol is O=S(=O)(c1ccc(Cl)s1)N1CCC(O)C1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-ol?
The InChIKey is SZABDXWSDGFTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO3S2/c9-7-1-2-8(14-7)15(12,13)10-4-3-6(11)5-10/h1-2,6,11H,3-5H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-ol?
1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-ol has a molecular weight of 267.76 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 6734978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).