2-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide

C11H24N2O3S2 — CID 112667005

IUPAC2-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide
SMILESCSCC(C)N(C)S(=O)(=O)N1CCCCC1CO
InChIInChI=1S/C11H24N2O3S2/c1-10(9-17-3)12(2)18(15,16)13-7-5-4-6-11(13)8-14/h10-11,14H,4-9H2,1-3H3
InChIKeyMUJOIJYNXTUHAF-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.76
Rot. Bonds6

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

2-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide (PubChem CID 112667005) has the molecular formula C11H24N2O3S2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide
PubChem CID112667005
Molecular FormulaC11H24N2O3S2
Molecular Weight296.46 g/mol
Exact Mass296.12
IUPAC Name2-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide
SMILESCSCC(C)N(C)S(=O)(=O)N1CCCCC1CO
InChIInChI=1S/C11H24N2O3S2/c1-10(9-17-3)12(2)18(15,16)13-7-5-4-6-11(13)8-14/h10-11,14H,4-9H2,1-3H3
InChIKeyMUJOIJYNXTUHAF-UHFFFAOYSA-N
XLogP0.76
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 115988619
2-(hydroxymethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)piperidine-1-sulfonamide
CID 79489459
1-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]piperidine-3-carboxylic acid
CID 112658011
N-cyclohexyl-2-(hydroxymethyl)-N-methylpyrrolidine-1-sulfonamide
CID 61408756
N'-hydroxy-3-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanimidamide
CID 76987819
N-(3-aminopropyl)-2-(hydroxymethyl)-N-methylazepane-1-sulfonamide
CID 116634407
(1-propylsulfonylpiperidin-2-yl)methanol
CID 43574448
2-(chloromethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 63397745
2-[2-(hydroxymethyl)azepan-1-yl]sulfonylbutanethioamide
CID 116634816
2-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide
CID 106079761
ethyl 1-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 112548538
(1-propylsulfonylpyrrolidin-2-yl)methanol
CID 61408748

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide?
The IUPAC name of 2-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide (CID 112667005) is 2-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide?
The canonical SMILES for 2-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide is CSCC(C)N(C)S(=O)(=O)N1CCCCC1CO.
What is the InChIKey of 2-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide?
The InChIKey is MUJOIJYNXTUHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S2/c1-10(9-17-3)12(2)18(15,16)13-7-5-4-6-11(13)8-14/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 2-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide?
2-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide has a molecular weight of 296.46 g/mol, XLogP of 0.76, 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-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 112667005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).