(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide

C9H20N2O3S — CID 94063829

IUPAC(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
SMILESCOCCNS(=O)(=O)N1CCC[C@H](C)C1
InChIInChI=1S/C9H20N2O3S/c1-9-4-3-6-11(8-9)15(12,13)10-5-7-14-2/h9-10H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyOCVMRCZNSQMEFB-VIFPVBQESA-N
MW236.34 g/mol
LogP0.20
Rot. Bonds5

About (3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide

(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide (PubChem CID 94063829) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is (3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
PubChem CID94063829
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
SMILESCOCCNS(=O)(=O)N1CCC[C@H](C)C1
InChIInChI=1S/C9H20N2O3S/c1-9-4-3-6-11(8-9)15(12,13)10-5-7-14-2/h9-10H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyOCVMRCZNSQMEFB-VIFPVBQESA-N
XLogP0.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethoxy)ethyl]-3-methylpiperidine-1-sulfonamide
CID 86989323
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
N-(2-methoxyethyl)azetidine-1-sulfonamide
CID 164583733
(3S)-1-(2-methoxyethylsulfamoyl)piperidine-3-carboxylic acid
CID 104978646
3-acetyl-N-(2-methoxyethyl)piperidine-1-sulfonamide
CID 114815332
methyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate
CID 43431574
N-[2-(cycloheptylamino)ethyl]-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 119987333
N-(6-bromohexyl)-3-methylpiperidine-1-sulfonamide
CID 107848876
(3R)-N-(2-methoxyethyl)-3-methylpiperazine-1-sulfonamide
CID 104978727
N-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide
CID 114816829
(3R)-N-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 35431016
(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95141775

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide?
The IUPAC name of (3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide (CID 94063829) is (3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for (3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for (3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide is COCCNS(=O)(=O)N1CCC[C@H](C)C1.
What is the InChIKey of (3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide?
The InChIKey is OCVMRCZNSQMEFB-VIFPVBQESA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-9-4-3-6-11(8-9)15(12,13)10-5-7-14-2/h9-10H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide?
(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 94063829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).