N-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide

C12H18N2O3S2 — CID 47150062

IUPACN-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)c2cccs2)CC1
InChIInChI=1S/C12H18N2O3S2/c1-2-19(16,17)14-7-5-10(6-8-14)13-12(15)11-4-3-9-18-11/h3-4,9-10H,2,5-8H2,1H3,(H,13,15)
InChIKeyQXRZWYBZBUAANU-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.29
Rot. Bonds4

About N-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide

N-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide (PubChem CID 47150062) has the molecular formula C12H18N2O3S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide
PubChem CID47150062
Molecular FormulaC12H18N2O3S2
Molecular Weight302.42 g/mol
Exact Mass302.08
IUPAC NameN-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)c2cccs2)CC1
InChIInChI=1S/C12H18N2O3S2/c1-2-19(16,17)14-7-5-10(6-8-14)13-12(15)11-4-3-9-18-11/h3-4,9-10H,2,5-8H2,1H3,(H,13,15)
InChIKeyQXRZWYBZBUAANU-UHFFFAOYSA-N
XLogP1.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-2-thiophen-2-ylacetamide
CID 115286975
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]thiophene-2-carboxamide
CID 108562023
N-cyclopropyl-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide
CID 47386196
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110822238
N-[1-(1,3-dioxoisoindol-5-yl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide
CID 56586749
N-[1-[2-(propylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46037540
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 46454753
N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 47021102
N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110822079
2-ethylsulfinyl-N-(1-ethylsulfonylpiperidin-4-yl)benzamide
CID 42883511
5-iodo-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide
CID 78950028
N-[1-[2-(cyclopropylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46156012

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide (CID 47150062) is N-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide is CCS(=O)(=O)N1CCC(NC(=O)c2cccs2)CC1.
What is the InChIKey of N-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide?
The InChIKey is QXRZWYBZBUAANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S2/c1-2-19(16,17)14-7-5-10(6-8-14)13-12(15)11-4-3-9-18-11/h3-4,9-10H,2,5-8H2,1H3,(H,13,15).
What are the key properties of N-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide?
N-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 47150062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).