(3S,5R)-3,5-dimethyl-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]piperidine-1-sulfonamide

C16H32N2O3S — CID 52530156

IUPAC(3S,5R)-3,5-dimethyl-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]piperidine-1-sulfonamide
SMILESC[C@@H]1C[C@H](C)CN(S(=O)(=O)NCCO[C@H]2CCCC[C@@H]2C)C1
InChIInChI=1S/C16H32N2O3S/c1-13-10-14(2)12-18(11-13)22(19,20)17-8-9-21-16-7-5-4-6-15(16)3/h13-17H,4-12H2,1-3H3/t13-,14+,15-,16-/m0/s1
InChIKeyJUEJAEIYIVEIJB-FZKCQIBNSA-N
MW332.51 g/mol
LogP2.39
Rot. Bonds6

About (3S,5R)-3,5-dimethyl-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]piperidine-1-sulfonamide

(3S,5R)-3,5-dimethyl-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]piperidine-1-sulfonamide (PubChem CID 52530156) has the molecular formula C16H32N2O3S and a molecular weight of 332.51 g/mol. Its IUPAC name is (3S,5R)-3,5-dimethyl-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name(3S,5R)-3,5-dimethyl-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]piperidine-1-sulfonamide
PubChem CID52530156
Molecular FormulaC16H32N2O3S
Molecular Weight332.51 g/mol
Exact Mass332.21
IUPAC Name(3S,5R)-3,5-dimethyl-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]piperidine-1-sulfonamide
SMILESC[C@@H]1C[C@H](C)CN(S(=O)(=O)NCCO[C@H]2CCCC[C@@H]2C)C1
InChIInChI=1S/C16H32N2O3S/c1-13-10-14(2)12-18(11-13)22(19,20)17-8-9-21-16-7-5-4-6-15(16)3/h13-17H,4-12H2,1-3H3/t13-,14+,15-,16-/m0/s1
InChIKeyJUEJAEIYIVEIJB-FZKCQIBNSA-N
XLogP2.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S,5R)-3,5-dimethyl-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]piperidine-1-sulfonamide with MolForge

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Related Compounds

N-(3-cyclopentylpropyl)-3,5-dimethylpiperidine-1-sulfonamide
CID 55571821
3,5-dimethyl-N-propylpiperidine-1-sulfonamide
CID 43243297
N-(2-aminoethyl)-3,5-dimethylpiperidine-1-sulfonamide
CID 43603509
N-[2-(cyclopropylamino)ethyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 62665167
3,5-dimethyl-N-[2-(methylamino)ethyl]piperidine-1-sulfonamide;hydrochloride
CID 119973056
1,3,5-trimethyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-sulfonamide
CID 94500290
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 94031283
(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
CID 94063829
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1-sulfamoylpiperidine-4-carboxamide
CID 94824406
N-[2-(2-methylcyclohexyl)oxyethyl]cyclopropanamine
CID 60976387
(3R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 94122097
3,5-dimethyl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,2-oxazole-4-sulfonamide
CID 51946575

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3,5-dimethyl-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]piperidine-1-sulfonamide?
The IUPAC name of (3S,5R)-3,5-dimethyl-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]piperidine-1-sulfonamide (CID 52530156) is (3S,5R)-3,5-dimethyl-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]piperidine-1-sulfonamide.
What is the SMILES notation for (3S,5R)-3,5-dimethyl-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]piperidine-1-sulfonamide?
The canonical SMILES for (3S,5R)-3,5-dimethyl-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]piperidine-1-sulfonamide is C[C@@H]1C[C@H](C)CN(S(=O)(=O)NCCO[C@H]2CCCC[C@@H]2C)C1.
What is the InChIKey of (3S,5R)-3,5-dimethyl-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]piperidine-1-sulfonamide?
The InChIKey is JUEJAEIYIVEIJB-FZKCQIBNSA-N. The full InChI is InChI=1S/C16H32N2O3S/c1-13-10-14(2)12-18(11-13)22(19,20)17-8-9-21-16-7-5-4-6-15(16)3/h13-17H,4-12H2,1-3H3/t13-,14+,15-,16-/m0/s1.
What are the key properties of (3S,5R)-3,5-dimethyl-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]piperidine-1-sulfonamide?
(3S,5R)-3,5-dimethyl-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]piperidine-1-sulfonamide has a molecular weight of 332.51 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3,5-dimethyl-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 52530156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).