(3S,5S)-5-methylpiperidine-3-sulfonamide

C6H14N2O2S — CID 142359349

IUPAC(3S,5S)-5-methylpiperidine-3-sulfonamide
SMILESC[C@@H]1CNC[C@@H](S(N)(=O)=O)C1
InChIInChI=1S/C6H14N2O2S/c1-5-2-6(4-8-3-5)11(7,9)10/h5-6,8H,2-4H2,1H3,(H2,7,9,10)/t5-,6-/m0/s1
InChIKeyYRJAHFJFWXKEGJ-WDSKDSINSA-N
MW178.26 g/mol
LogP-0.73
Rot. Bonds1

About (3S,5S)-5-methylpiperidine-3-sulfonamide

(3S,5S)-5-methylpiperidine-3-sulfonamide (PubChem CID 142359349) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is (3S,5S)-5-methylpiperidine-3-sulfonamide.

Molecular Properties

Compound Name(3S,5S)-5-methylpiperidine-3-sulfonamide
PubChem CID142359349
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name(3S,5S)-5-methylpiperidine-3-sulfonamide
SMILESC[C@@H]1CNC[C@@H](S(N)(=O)=O)C1
InChIInChI=1S/C6H14N2O2S/c1-5-2-6(4-8-3-5)11(7,9)10/h5-6,8H,2-4H2,1H3,(H2,7,9,10)/t5-,6-/m0/s1
InChIKeyYRJAHFJFWXKEGJ-WDSKDSINSA-N
XLogP-0.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-methylpiperidine-3-sulfonamide?
The IUPAC name of (3S,5S)-5-methylpiperidine-3-sulfonamide (CID 142359349) is (3S,5S)-5-methylpiperidine-3-sulfonamide.
What is the SMILES notation for (3S,5S)-5-methylpiperidine-3-sulfonamide?
The canonical SMILES for (3S,5S)-5-methylpiperidine-3-sulfonamide is C[C@@H]1CNC[C@@H](S(N)(=O)=O)C1.
What is the InChIKey of (3S,5S)-5-methylpiperidine-3-sulfonamide?
The InChIKey is YRJAHFJFWXKEGJ-WDSKDSINSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-5-2-6(4-8-3-5)11(7,9)10/h5-6,8H,2-4H2,1H3,(H2,7,9,10)/t5-,6-/m0/s1.
What are the key properties of (3S,5S)-5-methylpiperidine-3-sulfonamide?
(3S,5S)-5-methylpiperidine-3-sulfonamide has a molecular weight of 178.26 g/mol, XLogP of -0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-methylpiperidine-3-sulfonamide is sourced from PubChem (CID 142359349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).