(3R)-3-methyl-N-piperidin-4-ylpiperidine-1-sulfonamide

C11H23N3O2S — CID 28787873

IUPAC(3R)-3-methyl-N-piperidin-4-ylpiperidine-1-sulfonamide
SMILESC[C@@H]1CCCN(S(=O)(=O)NC2CCNCC2)C1
InChIInChI=1S/C11H23N3O2S/c1-10-3-2-8-14(9-10)17(15,16)13-11-4-6-12-7-5-11/h10-13H,2-9H2,1H3/t10-/m1/s1
InChIKeyNZCYTODTUXYZPJ-SNVBAGLBSA-N
MW261.39 g/mol
LogP0.30
Rot. Bonds3

About (3R)-3-methyl-N-piperidin-4-ylpiperidine-1-sulfonamide

(3R)-3-methyl-N-piperidin-4-ylpiperidine-1-sulfonamide (PubChem CID 28787873) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is (3R)-3-methyl-N-piperidin-4-ylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-3-methyl-N-piperidin-4-ylpiperidine-1-sulfonamide
PubChem CID28787873
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC Name(3R)-3-methyl-N-piperidin-4-ylpiperidine-1-sulfonamide
SMILESC[C@@H]1CCCN(S(=O)(=O)NC2CCNCC2)C1
InChIInChI=1S/C11H23N3O2S/c1-10-3-2-8-14(9-10)17(15,16)13-11-4-6-12-7-5-11/h10-13H,2-9H2,1H3/t10-/m1/s1
InChIKeyNZCYTODTUXYZPJ-SNVBAGLBSA-N
XLogP0.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-N-piperidin-4-ylpiperidine-1-sulfonamide?
The IUPAC name of (3R)-3-methyl-N-piperidin-4-ylpiperidine-1-sulfonamide (CID 28787873) is (3R)-3-methyl-N-piperidin-4-ylpiperidine-1-sulfonamide.
What is the SMILES notation for (3R)-3-methyl-N-piperidin-4-ylpiperidine-1-sulfonamide?
The canonical SMILES for (3R)-3-methyl-N-piperidin-4-ylpiperidine-1-sulfonamide is C[C@@H]1CCCN(S(=O)(=O)NC2CCNCC2)C1.
What is the InChIKey of (3R)-3-methyl-N-piperidin-4-ylpiperidine-1-sulfonamide?
The InChIKey is NZCYTODTUXYZPJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-10-3-2-8-14(9-10)17(15,16)13-11-4-6-12-7-5-11/h10-13H,2-9H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-3-methyl-N-piperidin-4-ylpiperidine-1-sulfonamide?
(3R)-3-methyl-N-piperidin-4-ylpiperidine-1-sulfonamide has a molecular weight of 261.39 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-N-piperidin-4-ylpiperidine-1-sulfonamide is sourced from PubChem (CID 28787873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).