N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpiperidine-1-sulfonamide

C11H24N2O3S2 — CID 103835694

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpiperidine-1-sulfonamide
SMILESCSCC(C)(O)CNS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C11H24N2O3S2/c1-10-5-4-6-13(7-10)18(15,16)12-8-11(2,14)9-17-3/h10,12,14H,4-9H2,1-3H3
InChIKeyCCRXFFZVFXPXPF-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.67
Rot. Bonds6

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpiperidine-1-sulfonamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpiperidine-1-sulfonamide (PubChem CID 103835694) has the molecular formula C11H24N2O3S2 and a molecular weight of 296.46 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpiperidine-1-sulfonamide
PubChem CID103835694
Molecular FormulaC11H24N2O3S2
Molecular Weight296.46 g/mol
Exact Mass296.12
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpiperidine-1-sulfonamide
SMILESCSCC(C)(O)CNS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C11H24N2O3S2/c1-10-5-4-6-13(7-10)18(15,16)12-8-11(2,14)9-17-3/h10,12,14H,4-9H2,1-3H3
InChIKeyCCRXFFZVFXPXPF-UHFFFAOYSA-N
XLogP0.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)morpholine-4-sulfonamide
CID 103835686
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
(3S)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-sulfonamide
CID 39992415
(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95141775
methyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate
CID 43431574
(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
CID 94063829
N-(2,3-dihydroxy-2-methylpropyl)pyrrolidine-1-sulfonamide
CID 66171400
N-[2-(2-hydroxyethyl)pentyl]-3-methylpiperidine-1-sulfonamide
CID 103836469
ethyl 1-[(2-hydroxy-2-methylbutyl)sulfamoyl]piperidine-3-carboxylate
CID 65112821
N-[(3-bromocyclopentyl)methyl]-3-methylpiperidine-1-sulfonamide
CID 106135059
N-[2-(cycloheptylamino)ethyl]-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 119987333
N-(6-bromohexyl)-3-methylpiperidine-1-sulfonamide
CID 107848876

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpiperidine-1-sulfonamide (CID 103835694) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpiperidine-1-sulfonamide is CSCC(C)(O)CNS(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpiperidine-1-sulfonamide?
The InChIKey is CCRXFFZVFXPXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S2/c1-10-5-4-6-13(7-10)18(15,16)12-8-11(2,14)9-17-3/h10,12,14H,4-9H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpiperidine-1-sulfonamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpiperidine-1-sulfonamide has a molecular weight of 296.46 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 103835694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).