2-(hydroxymethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-sulfonamide

C14H24N2O3S2 — CID 79489459

IUPAC2-(hydroxymethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-sulfonamide
SMILESCC(Cc1cccs1)N(C)S(=O)(=O)N1CCCCC1CO
InChIInChI=1S/C14H24N2O3S2/c1-12(10-14-7-5-9-20-14)15(2)21(18,19)16-8-4-3-6-13(16)11-17/h5,7,9,12-13,17H,3-4,6,8,10-11H2,1-2H3
InChIKeyQZAJVVHWDXZJMI-UHFFFAOYSA-N
MW332.49 g/mol
LogP1.70
Rot. Bonds6

About 2-(hydroxymethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-sulfonamide

2-(hydroxymethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-sulfonamide (PubChem CID 79489459) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-sulfonamide
PubChem CID79489459
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC Name2-(hydroxymethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-sulfonamide
SMILESCC(Cc1cccs1)N(C)S(=O)(=O)N1CCCCC1CO
InChIInChI=1S/C14H24N2O3S2/c1-12(10-14-7-5-9-20-14)15(2)21(18,19)16-8-4-3-6-13(16)11-17/h5,7,9,12-13,17H,3-4,6,8,10-11H2,1-2H3
InChIKeyQZAJVVHWDXZJMI-UHFFFAOYSA-N
XLogP1.70
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-ethyl-N-methyl-2-(2-oxo-2-thiophen-2-ylethyl)pyrrolidine-1-sulfonamide
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N-methyl-2-[(2R)-oxolan-2-yl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide
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(2R)-2-(hydroxymethyl)-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide
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2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]cycloheptan-1-one
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3-cyclopentyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea
CID 116509360
4-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]sulfonylmorpholine
CID 70727742
N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-sulfonamide?
The IUPAC name of 2-(hydroxymethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-sulfonamide (CID 79489459) is 2-(hydroxymethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-sulfonamide?
The canonical SMILES for 2-(hydroxymethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-sulfonamide is CC(Cc1cccs1)N(C)S(=O)(=O)N1CCCCC1CO.
What is the InChIKey of 2-(hydroxymethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-sulfonamide?
The InChIKey is QZAJVVHWDXZJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-12(10-14-7-5-9-20-14)15(2)21(18,19)16-8-4-3-6-13(16)11-17/h5,7,9,12-13,17H,3-4,6,8,10-11H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-sulfonamide?
2-(hydroxymethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-sulfonamide has a molecular weight of 332.49 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 79489459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).