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

C10H22N2O3S — CID 97216357

IUPAC(3S)-1-(2-ethoxyethyl)-N-methylpiperidine-3-sulfonamide
SMILESCCOCCN1CCC[C@H](S(=O)(=O)NC)C1
InChIInChI=1S/C10H22N2O3S/c1-3-15-8-7-12-6-4-5-10(9-12)16(13,14)11-2/h10-11H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyLTZQNXTZQPHFIP-JTQLQIEISA-N
MW250.36 g/mol
LogP0.04
Rot. Bonds6

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

(3S)-1-(2-ethoxyethyl)-N-methylpiperidine-3-sulfonamide (PubChem CID 97216357) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is (3S)-1-(2-ethoxyethyl)-N-methylpiperidine-3-sulfonamide.

Molecular Properties

Compound Name(3S)-1-(2-ethoxyethyl)-N-methylpiperidine-3-sulfonamide
PubChem CID97216357
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name(3S)-1-(2-ethoxyethyl)-N-methylpiperidine-3-sulfonamide
SMILESCCOCCN1CCC[C@H](S(=O)(=O)NC)C1
InChIInChI=1S/C10H22N2O3S/c1-3-15-8-7-12-6-4-5-10(9-12)16(13,14)11-2/h10-11H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyLTZQNXTZQPHFIP-JTQLQIEISA-N
XLogP0.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-ethoxyethyl)-N-methylpiperidine-3-sulfonamide?
The IUPAC name of (3S)-1-(2-ethoxyethyl)-N-methylpiperidine-3-sulfonamide (CID 97216357) is (3S)-1-(2-ethoxyethyl)-N-methylpiperidine-3-sulfonamide.
What is the SMILES notation for (3S)-1-(2-ethoxyethyl)-N-methylpiperidine-3-sulfonamide?
The canonical SMILES for (3S)-1-(2-ethoxyethyl)-N-methylpiperidine-3-sulfonamide is CCOCCN1CCC[C@H](S(=O)(=O)NC)C1.
What is the InChIKey of (3S)-1-(2-ethoxyethyl)-N-methylpiperidine-3-sulfonamide?
The InChIKey is LTZQNXTZQPHFIP-JTQLQIEISA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-3-15-8-7-12-6-4-5-10(9-12)16(13,14)11-2/h10-11H,3-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (3S)-1-(2-ethoxyethyl)-N-methylpiperidine-3-sulfonamide?
(3S)-1-(2-ethoxyethyl)-N-methylpiperidine-3-sulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-ethoxyethyl)-N-methylpiperidine-3-sulfonamide is sourced from PubChem (CID 97216357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).