(3R,4S)-3,4-dimethylpiperidine-1-sulfonamide

C7H16N2O2S — CID 45080623

IUPAC(3R,4S)-3,4-dimethylpiperidine-1-sulfonamide
SMILESC[C@H]1CCN(S(N)(=O)=O)C[C@@H]1C
InChIInChI=1S/C7H16N2O2S/c1-6-3-4-9(5-7(6)2)12(8,10)11/h6-7H,3-5H2,1-2H3,(H2,8,10,11)/t6-,7-/m0/s1
InChIKeyPXRPETPZDWVCOA-BQBZGAKWSA-N
MW192.28 g/mol
LogP0.17
Rot. Bonds1

About (3R,4S)-3,4-dimethylpiperidine-1-sulfonamide

(3R,4S)-3,4-dimethylpiperidine-1-sulfonamide (PubChem CID 45080623) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is (3R,4S)-3,4-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R,4S)-3,4-dimethylpiperidine-1-sulfonamide
PubChem CID45080623
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name(3R,4S)-3,4-dimethylpiperidine-1-sulfonamide
SMILESC[C@H]1CCN(S(N)(=O)=O)C[C@@H]1C
InChIInChI=1S/C7H16N2O2S/c1-6-3-4-9(5-7(6)2)12(8,10)11/h6-7H,3-5H2,1-2H3,(H2,8,10,11)/t6-,7-/m0/s1
InChIKeyPXRPETPZDWVCOA-BQBZGAKWSA-N
XLogP0.17
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-dimethylpiperidine-1-sulfonamide?
The IUPAC name of (3R,4S)-3,4-dimethylpiperidine-1-sulfonamide (CID 45080623) is (3R,4S)-3,4-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for (3R,4S)-3,4-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for (3R,4S)-3,4-dimethylpiperidine-1-sulfonamide is C[C@H]1CCN(S(N)(=O)=O)C[C@@H]1C.
What is the InChIKey of (3R,4S)-3,4-dimethylpiperidine-1-sulfonamide?
The InChIKey is PXRPETPZDWVCOA-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-6-3-4-9(5-7(6)2)12(8,10)11/h6-7H,3-5H2,1-2H3,(H2,8,10,11)/t6-,7-/m0/s1.
What are the key properties of (3R,4S)-3,4-dimethylpiperidine-1-sulfonamide?
(3R,4S)-3,4-dimethylpiperidine-1-sulfonamide has a molecular weight of 192.28 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 45080623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).