1-thiophen-2-ylsulfonyl-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide

C18H30N2O3S2 — CID 51188882

IUPAC1-thiophen-2-ylsulfonyl-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H30N2O3S2/c1-17(2,3)13-18(4,5)19-16(21)14-8-10-20(11-9-14)25(22,23)15-7-6-12-24-15/h6-7,12,14H,8-11,13H2,1-5H3,(H,19,21)
InChIKeyWHSRZODFSDNDDD-UHFFFAOYSA-N
MW386.58 g/mol
LogP3.48
Rot. Bonds5

About 1-thiophen-2-ylsulfonyl-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide

1-thiophen-2-ylsulfonyl-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide (PubChem CID 51188882) has the molecular formula C18H30N2O3S2 and a molecular weight of 386.58 g/mol. Its IUPAC name is 1-thiophen-2-ylsulfonyl-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-thiophen-2-ylsulfonyl-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide
PubChem CID51188882
Molecular FormulaC18H30N2O3S2
Molecular Weight386.58 g/mol
Exact Mass386.17
IUPAC Name1-thiophen-2-ylsulfonyl-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C18H30N2O3S2/c1-17(2,3)13-18(4,5)19-16(21)14-8-10-20(11-9-14)25(22,23)15-7-6-12-24-15/h6-7,12,14H,8-11,13H2,1-5H3,(H,19,21)
InChIKeyWHSRZODFSDNDDD-UHFFFAOYSA-N
XLogP3.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7914403
N-[(2S)-3-methylbutan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 27511485
1-tert-butyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)urea
CID 110823258
N-(3-anilinopropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 56586345
N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810492
N-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 17462186
ethyl 4-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]piperidine-1-carboxylate
CID 3244590
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 8750729
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 16830561
N-(4-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810583
N-(4-iodophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2388200
N-(3,5-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7960898

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylsulfonyl-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-thiophen-2-ylsulfonyl-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide (CID 51188882) is 1-thiophen-2-ylsulfonyl-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-thiophen-2-ylsulfonyl-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-thiophen-2-ylsulfonyl-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide is CC(C)(C)CC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 1-thiophen-2-ylsulfonyl-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide?
The InChIKey is WHSRZODFSDNDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3S2/c1-17(2,3)13-18(4,5)19-16(21)14-8-10-20(11-9-14)25(22,23)15-7-6-12-24-15/h6-7,12,14H,8-11,13H2,1-5H3,(H,19,21).
What are the key properties of 1-thiophen-2-ylsulfonyl-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide?
1-thiophen-2-ylsulfonyl-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide has a molecular weight of 386.58 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylsulfonyl-N-(2,4,4-trimethylpentan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 51188882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).