(3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate

C11H14NO4S2- — CID 2055816

IUPAC(3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)s1
InChIInChI=1S/C11H15NO4S2/c1-8-4-5-10(17-8)18(15,16)12-6-2-3-9(7-12)11(13)14/h4-5,9H,2-3,6-7H2,1H3,(H,13,14)/p-1/t9-/m1/s1
InChIKeyQKLAHLXSXCSXCN-SECBINFHSA-M
MW288.37 g/mol
LogP0.21
Rot. Bonds3

About (3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate

(3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate (PubChem CID 2055816) has the molecular formula C11H14NO4S2- and a molecular weight of 288.37 g/mol. Its IUPAC name is (3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate.

Molecular Properties

Compound Name(3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
PubChem CID2055816
Molecular FormulaC11H14NO4S2-
Molecular Weight288.37 g/mol
Exact Mass288.04
IUPAC Name(3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)s1
InChIInChI=1S/C11H15NO4S2/c1-8-4-5-10(17-8)18(15,16)12-6-2-3-9(7-12)11(13)14/h4-5,9H,2-3,6-7H2,1H3,(H,13,14)/p-1/t9-/m1/s1
InChIKeyQKLAHLXSXCSXCN-SECBINFHSA-M
XLogP0.21
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 ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 34827204
N-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46547457
3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 4729251
N-methyl-N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 60622079
1,4-diazepan-1-yl-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methanone
CID 119418448
1-(5-methylthiophen-2-yl)sulfonyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119454013
2,2-dimethyl-3-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]propanoic acid
CID 119250310
N-[1-(aminomethyl)cyclopentyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 119568233
[4-(methylaminomethyl)piperidin-1-yl]-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]methanone
CID 119546707
N'-(4-fluorobenzoyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide
CID 46521967
N-[2-(ethylamino)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119509213
3-[methyl-[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]propanoic acid
CID 119233258

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate?
The IUPAC name of (3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate (CID 2055816) is (3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate.
What is the SMILES notation for (3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate?
The canonical SMILES for (3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate is Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)s1.
What is the InChIKey of (3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate?
The InChIKey is QKLAHLXSXCSXCN-SECBINFHSA-M. The full InChI is InChI=1S/C11H15NO4S2/c1-8-4-5-10(17-8)18(15,16)12-6-2-3-9(7-12)11(13)14/h4-5,9H,2-3,6-7H2,1H3,(H,13,14)/p-1/t9-/m1/s1.
What are the key properties of (3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate?
(3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate has a molecular weight of 288.37 g/mol, XLogP of 0.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate is sourced from PubChem (CID 2055816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).