N-[[1-(2-ethoxyethyl)piperidin-3-yl]methyl]propane-2-sulfonamide

C13H28N2O3S — CID 75373321

IUPACN-[[1-(2-ethoxyethyl)piperidin-3-yl]methyl]propane-2-sulfonamide
SMILESCCOCCN1CCCC(CNS(=O)(=O)C(C)C)C1
InChIInChI=1S/C13H28N2O3S/c1-4-18-9-8-15-7-5-6-13(11-15)10-14-19(16,17)12(2)3/h12-14H,4-11H2,1-3H3
InChIKeySSSQCLZCOLJMQH-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.06
Rot. Bonds8

About N-[[1-(2-ethoxyethyl)piperidin-3-yl]methyl]propane-2-sulfonamide

N-[[1-(2-ethoxyethyl)piperidin-3-yl]methyl]propane-2-sulfonamide (PubChem CID 75373321) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[[1-(2-ethoxyethyl)piperidin-3-yl]methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-(2-ethoxyethyl)piperidin-3-yl]methyl]propane-2-sulfonamide
PubChem CID75373321
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC NameN-[[1-(2-ethoxyethyl)piperidin-3-yl]methyl]propane-2-sulfonamide
SMILESCCOCCN1CCCC(CNS(=O)(=O)C(C)C)C1
InChIInChI=1S/C13H28N2O3S/c1-4-18-9-8-15-7-5-6-13(11-15)10-14-19(16,17)12(2)3/h12-14H,4-11H2,1-3H3
InChIKeySSSQCLZCOLJMQH-UHFFFAOYSA-N
XLogP1.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.06
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-[[1-(2-ethoxyethyl)piperidin-3-yl]methyl]propane-2-sulfonamide?
The IUPAC name of N-[[1-(2-ethoxyethyl)piperidin-3-yl]methyl]propane-2-sulfonamide (CID 75373321) is N-[[1-(2-ethoxyethyl)piperidin-3-yl]methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[[1-(2-ethoxyethyl)piperidin-3-yl]methyl]propane-2-sulfonamide?
The canonical SMILES for N-[[1-(2-ethoxyethyl)piperidin-3-yl]methyl]propane-2-sulfonamide is CCOCCN1CCCC(CNS(=O)(=O)C(C)C)C1.
What is the InChIKey of N-[[1-(2-ethoxyethyl)piperidin-3-yl]methyl]propane-2-sulfonamide?
The InChIKey is SSSQCLZCOLJMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-4-18-9-8-15-7-5-6-13(11-15)10-14-19(16,17)12(2)3/h12-14H,4-11H2,1-3H3.
What are the key properties of N-[[1-(2-ethoxyethyl)piperidin-3-yl]methyl]propane-2-sulfonamide?
N-[[1-(2-ethoxyethyl)piperidin-3-yl]methyl]propane-2-sulfonamide has a molecular weight of 292.44 g/mol, XLogP of 1.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethoxyethyl)piperidin-3-yl]methyl]propane-2-sulfonamide is sourced from PubChem (CID 75373321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).