1-methylsulfonylpiperidine-4-thiol

C6H13NO2S2 — CID 130490648

IUPAC1-methylsulfonylpiperidine-4-thiol
SMILESCS(=O)(=O)N1CCC(S)CC1
InChIInChI=1S/C6H13NO2S2/c1-11(8,9)7-4-2-6(10)3-5-7/h6,10H,2-5H2,1H3
InChIKeyLHZCDSJPAMYBMA-UHFFFAOYSA-N
MW195.31 g/mol
LogP0.34
Rot. Bonds1

About 1-methylsulfonylpiperidine-4-thiol

1-methylsulfonylpiperidine-4-thiol (PubChem CID 130490648) has the molecular formula C6H13NO2S2 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-methylsulfonylpiperidine-4-thiol.

Molecular Properties

Compound Name1-methylsulfonylpiperidine-4-thiol
PubChem CID130490648
Molecular FormulaC6H13NO2S2
Molecular Weight195.31 g/mol
Exact Mass195.04
IUPAC Name1-methylsulfonylpiperidine-4-thiol
SMILESCS(=O)(=O)N1CCC(S)CC1
InChIInChI=1S/C6H13NO2S2/c1-11(8,9)7-4-2-6(10)3-5-7/h6,10H,2-5H2,1H3
InChIKeyLHZCDSJPAMYBMA-UHFFFAOYSA-N
XLogP0.34
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-deuterio-1-methylsulfonylpiperidin-4-amine;hydrochloride
CID 162383208
1-(1-methylsulfonylpiperidin-4-yl)ethanamine
CID 63596040
4-(1-methylcyclopropyl)-1-methylsulfonylpiperidine
CID 58054117
1-methylsulfonylpyrrolidin-3-ol
CID 20745843
(3R)-1-methylsulfonylpyrrolidin-3-ol
CID 78998740
4-methylsulfanyloxy-1-methylsulfonylpiperidine
CID 123304187
2,2-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)propan-1-one
CID 118217451
2-(1-methylsulfonylpiperidin-4-yl)guanidine
CID 67053473
2-chloro-1-(1-methylsulfonylpiperidin-4-yl)ethanone
CID 82044409
(3S)-1-methylsulfonylpyrrolidin-3-amine;hydrochloride
CID 66672546
(1-methylsulfonylpiperidin-4-yl)methanesulfinamide
CID 165452712
1-methylsulfonyl-N-(2,3,3-trimethylbutan-2-yl)piperidin-4-amine
CID 58297307

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylpiperidine-4-thiol?
The IUPAC name of 1-methylsulfonylpiperidine-4-thiol (CID 130490648) is 1-methylsulfonylpiperidine-4-thiol.
What is the SMILES notation for 1-methylsulfonylpiperidine-4-thiol?
The canonical SMILES for 1-methylsulfonylpiperidine-4-thiol is CS(=O)(=O)N1CCC(S)CC1.
What is the InChIKey of 1-methylsulfonylpiperidine-4-thiol?
The InChIKey is LHZCDSJPAMYBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S2/c1-11(8,9)7-4-2-6(10)3-5-7/h6,10H,2-5H2,1H3.
What are the key properties of 1-methylsulfonylpiperidine-4-thiol?
1-methylsulfonylpiperidine-4-thiol has a molecular weight of 195.31 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylpiperidine-4-thiol is sourced from PubChem (CID 130490648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).