(2S)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylate

C11H14NO4S2- — CID 2082085

IUPAC(2S)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylate
SMILESCc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])s1
InChIInChI=1S/C11H15NO4S2/c1-8-5-6-10(17-8)18(15,16)12-7-3-2-4-9(12)11(13)14/h5-6,9H,2-4,7H2,1H3,(H,13,14)/p-1/t9-/m0/s1
InChIKeyOACZNBYRQPECEM-VIFPVBQESA-M
MW288.37 g/mol
LogP0.35
Rot. Bonds3

About (2S)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylate

(2S)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylate (PubChem CID 2082085) has the molecular formula C11H14NO4S2- and a molecular weight of 288.37 g/mol. Its IUPAC name is (2S)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylate.

Molecular Properties

Compound Name(2S)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylate
PubChem CID2082085
Molecular FormulaC11H14NO4S2-
Molecular Weight288.37 g/mol
Exact Mass288.04
IUPAC Name(2S)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylate
SMILESCc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])s1
InChIInChI=1S/C11H15NO4S2/c1-8-5-6-10(17-8)18(15,16)12-7-3-2-4-9(12)11(13)14/h5-6,9H,2-4,7H2,1H3,(H,13,14)/p-1/t9-/m0/s1
InChIKeyOACZNBYRQPECEM-VIFPVBQESA-M
XLogP0.35
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylate?
The IUPAC name of (2S)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylate (CID 2082085) is (2S)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylate.
What is the SMILES notation for (2S)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylate?
The canonical SMILES for (2S)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylate is Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])s1.
What is the InChIKey of (2S)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylate?
The InChIKey is OACZNBYRQPECEM-VIFPVBQESA-M. The full InChI is InChI=1S/C11H15NO4S2/c1-8-5-6-10(17-8)18(15,16)12-7-3-2-4-9(12)11(13)14/h5-6,9H,2-4,7H2,1H3,(H,13,14)/p-1/t9-/m0/s1.
What are the key properties of (2S)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylate?
(2S)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylate has a molecular weight of 288.37 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-2-carboxylate is sourced from PubChem (CID 2082085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).