1-ethylsulfonyl-N-(1-thiophen-3-ylpropan-2-yl)piperidine-4-carboxamide

C15H24N2O3S2 — CID 51090729

IUPAC1-ethylsulfonyl-N-(1-thiophen-3-ylpropan-2-yl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NC(C)Cc2ccsc2)CC1
InChIInChI=1S/C15H24N2O3S2/c1-3-22(19,20)17-7-4-14(5-8-17)15(18)16-12(2)10-13-6-9-21-11-13/h6,9,11-12,14H,3-5,7-8,10H2,1-2H3,(H,16,18)
InChIKeyKQQMGJUUZHIPDH-UHFFFAOYSA-N
MW344.50 g/mol
LogP1.86
Rot. Bonds6

About 1-ethylsulfonyl-N-(1-thiophen-3-ylpropan-2-yl)piperidine-4-carboxamide

1-ethylsulfonyl-N-(1-thiophen-3-ylpropan-2-yl)piperidine-4-carboxamide (PubChem CID 51090729) has the molecular formula C15H24N2O3S2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(1-thiophen-3-ylpropan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(1-thiophen-3-ylpropan-2-yl)piperidine-4-carboxamide
PubChem CID51090729
Molecular FormulaC15H24N2O3S2
Molecular Weight344.50 g/mol
Exact Mass344.12
IUPAC Name1-ethylsulfonyl-N-(1-thiophen-3-ylpropan-2-yl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NC(C)Cc2ccsc2)CC1
InChIInChI=1S/C15H24N2O3S2/c1-3-22(19,20)17-7-4-14(5-8-17)15(18)16-12(2)10-13-6-9-21-11-13/h6,9,11-12,14H,3-5,7-8,10H2,1-2H3,(H,16,18)
InChIKeyKQQMGJUUZHIPDH-UHFFFAOYSA-N
XLogP1.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-thiophen-3-ylpropan-2-yl)piperidine-3-carboxamide
CID 54954195
N-[(2R)-butan-2-yl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92802421
1-[(4-bromophenyl)methylsulfonyl]-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 28569428
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 27782107
1-benzylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 29204152
2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 43357542
N-[(2S)-butan-2-yl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92802448
N-(1-thiophen-3-ylpropan-2-yl)morpholine-4-carboxamide
CID 115589977
N-(1-thiophen-3-ylpropan-2-yl)thiomorpholine-3-carboxamide
CID 82908664
1-benzylsulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 29204159
1-methyl-N-[1-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide
CID 145353936
1-N-cyclopropyl-4-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,4-dicarboxamide
CID 75390351

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(1-thiophen-3-ylpropan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-(1-thiophen-3-ylpropan-2-yl)piperidine-4-carboxamide (CID 51090729) is 1-ethylsulfonyl-N-(1-thiophen-3-ylpropan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-(1-thiophen-3-ylpropan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-(1-thiophen-3-ylpropan-2-yl)piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NC(C)Cc2ccsc2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-(1-thiophen-3-ylpropan-2-yl)piperidine-4-carboxamide?
The InChIKey is KQQMGJUUZHIPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S2/c1-3-22(19,20)17-7-4-14(5-8-17)15(18)16-12(2)10-13-6-9-21-11-13/h6,9,11-12,14H,3-5,7-8,10H2,1-2H3,(H,16,18).
What are the key properties of 1-ethylsulfonyl-N-(1-thiophen-3-ylpropan-2-yl)piperidine-4-carboxamide?
1-ethylsulfonyl-N-(1-thiophen-3-ylpropan-2-yl)piperidine-4-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(1-thiophen-3-ylpropan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 51090729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).