N-(oxolan-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C15H22N2O4S2 — CID 18102027

IUPACN-(oxolan-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCC1CCCO1)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C15H22N2O4S2/c18-15(16-10-13-5-2-8-21-13)12-4-1-7-17(11-12)23(19,20)14-6-3-9-22-14/h3,6,9,12-13H,1-2,4-5,7-8,10-11H2,(H,16,18)
InChIKeySSJQYXAQCDOCEJ-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.44
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-(oxolan-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 18102027) has the molecular formula C15H22N2O4S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID18102027
Molecular FormulaC15H22N2O4S2
Molecular Weight358.49 g/mol
Exact Mass358.10
IUPAC NameN-(oxolan-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCC1CCCO1)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C15H22N2O4S2/c18-15(16-10-13-5-2-8-21-13)12-4-1-7-17(11-12)23(19,20)14-6-3-9-22-14/h3,6,9,12-13H,1-2,4-5,7-8,10-11H2,(H,16,18)
InChIKeySSJQYXAQCDOCEJ-UHFFFAOYSA-N
XLogP1.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxolan-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 3483438
1-(5-methylthiophen-2-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 46521915
(3R)-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802331
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
(3R)-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 94019515
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
methyl N-[4-[(3R)-3-[[(2S)-oxolan-2-yl]methylcarbamoyl]piperidin-1-yl]sulfonylphenyl]carbamate
CID 6551868
(3R)-N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7410118
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399
N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 3239956
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 132669499
N-[3-(4-methylpiperazin-1-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 43905757

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 18102027) is N-(oxolan-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is O=C(NCC1CCCO1)C1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is SSJQYXAQCDOCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S2/c18-15(16-10-13-5-2-8-21-13)12-4-1-7-17(11-12)23(19,20)14-6-3-9-22-14/h3,6,9,12-13H,1-2,4-5,7-8,10-11H2,(H,16,18).
What are the key properties of N-(oxolan-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-(oxolan-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 18102027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).