(2S,4S)-4-hydroxy-2-methylpiperidine-1-sulfonamide

C6H14N2O3S — CID 130692930

IUPAC(2S,4S)-4-hydroxy-2-methylpiperidine-1-sulfonamide
SMILESC[C@H]1C[C@@H](O)CCN1S(N)(=O)=O
InChIInChI=1S/C6H14N2O3S/c1-5-4-6(9)2-3-8(5)12(7,10)11/h5-6,9H,2-4H2,1H3,(H2,7,10,11)/t5-,6-/m0/s1
InChIKeyCVKYPEHZGORRFJ-WDSKDSINSA-N
MW194.26 g/mol
LogP-0.96
Rot. Bonds1

About (2S,4S)-4-hydroxy-2-methylpiperidine-1-sulfonamide

(2S,4S)-4-hydroxy-2-methylpiperidine-1-sulfonamide (PubChem CID 130692930) has the molecular formula C6H14N2O3S and a molecular weight of 194.26 g/mol. Its IUPAC name is (2S,4S)-4-hydroxy-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(2S,4S)-4-hydroxy-2-methylpiperidine-1-sulfonamide
PubChem CID130692930
Molecular FormulaC6H14N2O3S
Molecular Weight194.26 g/mol
Exact Mass194.07
IUPAC Name(2S,4S)-4-hydroxy-2-methylpiperidine-1-sulfonamide
SMILESC[C@H]1C[C@@H](O)CCN1S(N)(=O)=O
InChIInChI=1S/C6H14N2O3S/c1-5-4-6(9)2-3-8(5)12(7,10)11/h5-6,9H,2-4H2,1H3,(H2,7,10,11)/t5-,6-/m0/s1
InChIKeyCVKYPEHZGORRFJ-WDSKDSINSA-N
XLogP-0.96
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-hydroxy-2-methylpiperidine-1-sulfonamide?
The IUPAC name of (2S,4S)-4-hydroxy-2-methylpiperidine-1-sulfonamide (CID 130692930) is (2S,4S)-4-hydroxy-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for (2S,4S)-4-hydroxy-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for (2S,4S)-4-hydroxy-2-methylpiperidine-1-sulfonamide is C[C@H]1C[C@@H](O)CCN1S(N)(=O)=O.
What is the InChIKey of (2S,4S)-4-hydroxy-2-methylpiperidine-1-sulfonamide?
The InChIKey is CVKYPEHZGORRFJ-WDSKDSINSA-N. The full InChI is InChI=1S/C6H14N2O3S/c1-5-4-6(9)2-3-8(5)12(7,10)11/h5-6,9H,2-4H2,1H3,(H2,7,10,11)/t5-,6-/m0/s1.
What are the key properties of (2S,4S)-4-hydroxy-2-methylpiperidine-1-sulfonamide?
(2S,4S)-4-hydroxy-2-methylpiperidine-1-sulfonamide has a molecular weight of 194.26 g/mol, XLogP of -0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-hydroxy-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 130692930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).