N-(3-ethoxypropyl)-1-methylsulfonylpiperidine-4-carboxamide

C12H24N2O4S — CID 2059428

IUPACN-(3-ethoxypropyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H24N2O4S/c1-3-18-10-4-7-13-12(15)11-5-8-14(9-6-11)19(2,16)17/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyQQPXMMBXOFNIIM-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.20
Rot. Bonds7

About N-(3-ethoxypropyl)-1-methylsulfonylpiperidine-4-carboxamide

N-(3-ethoxypropyl)-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 2059428) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID2059428
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC NameN-(3-ethoxypropyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H24N2O4S/c1-3-18-10-4-7-13-12(15)11-5-8-14(9-6-11)19(2,16)17/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyQQPXMMBXOFNIIM-UHFFFAOYSA-N
XLogP0.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.20
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 N-(3-ethoxypropyl)-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-methylsulfonylpiperidine-4-carboxamide (CID 2059428) is N-(3-ethoxypropyl)-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-methylsulfonylpiperidine-4-carboxamide is CCOCCCNC(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is QQPXMMBXOFNIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-3-18-10-4-7-13-12(15)11-5-8-14(9-6-11)19(2,16)17/h11H,3-10H2,1-2H3,(H,13,15).
What are the key properties of N-(3-ethoxypropyl)-1-methylsulfonylpiperidine-4-carboxamide?
N-(3-ethoxypropyl)-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 0.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2059428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).