3-methylsulfonylpiperidin-1-ium

C6H14NO2S+ — CID 167468794

IUPAC3-methylsulfonylpiperidin-1-ium
SMILESCS(=O)(=O)C1CCC[NH2+]C1
InChIInChI=1S/C6H13NO2S/c1-10(8,9)6-3-2-4-7-5-6/h6-7H,2-5H2,1H3/p+1
InChIKeyPBJLJPZGBKCUKM-UHFFFAOYSA-O
MW164.25 g/mol
LogP-1.24
Rot. Bonds1

About 3-methylsulfonylpiperidin-1-ium

3-methylsulfonylpiperidin-1-ium (PubChem CID 167468794) has the molecular formula C6H14NO2S+ and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-methylsulfonylpiperidin-1-ium.

Molecular Properties

Compound Name3-methylsulfonylpiperidin-1-ium
PubChem CID167468794
Molecular FormulaC6H14NO2S+
Molecular Weight164.25 g/mol
Exact Mass164.07
IUPAC Name3-methylsulfonylpiperidin-1-ium
SMILESCS(=O)(=O)C1CCC[NH2+]C1
InChIInChI=1S/C6H13NO2S/c1-10(8,9)6-3-2-4-7-5-6/h6-7H,2-5H2,1H3/p+1
InChIKeyPBJLJPZGBKCUKM-UHFFFAOYSA-O
XLogP-1.24
TPSA50.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidine-4-sulfonic acid
CID 4838
Piperidine-3-sulfonamide
CID 24703810
Piperidine-3-sulfonic Acid
CID 429325
N-Methyl-4-piperidinesulfonamide
CID 52326748
(S)-Piperidine-3-sulfonamide
CID 28202542
3-Methanesulfonylpiperidine
CID 22275823
4-Methanesulfonylpiperidine hydrochloride
CID 23061698
N-methylpiperidine-3-sulfonamide
CID 24711203
rel-(3R)-piperidine-3-sulfonamide
CID 28202540
Piperidine-3-sulfonamide hydrochloride
CID 42946476
4-(Methanesulfonylmethyl)piperidine hydrochloride
CID 46737055
Piperidine-4-sulfonamide hydrochloride
CID 50988742

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonylpiperidin-1-ium?
The IUPAC name of 3-methylsulfonylpiperidin-1-ium (CID 167468794) is 3-methylsulfonylpiperidin-1-ium.
What is the SMILES notation for 3-methylsulfonylpiperidin-1-ium?
The canonical SMILES for 3-methylsulfonylpiperidin-1-ium is CS(=O)(=O)C1CCC[NH2+]C1.
What is the InChIKey of 3-methylsulfonylpiperidin-1-ium?
The InChIKey is PBJLJPZGBKCUKM-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13NO2S/c1-10(8,9)6-3-2-4-7-5-6/h6-7H,2-5H2,1H3/p+1.
What are the key properties of 3-methylsulfonylpiperidin-1-ium?
3-methylsulfonylpiperidin-1-ium has a molecular weight of 164.25 g/mol, XLogP of -1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonylpiperidin-1-ium is sourced from PubChem (CID 167468794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).