N-[(5-ethoxy-2-pyridinyl)methyl]-N-methylpropane-1-sulfonamide

C12H20N2O3S — CID 71971970

IUPACN-[(5-ethoxy-2-pyridinyl)methyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)Cc1ccc(OCC)cn1
InChIInChI=1S/C12H20N2O3S/c1-4-8-18(15,16)14(3)10-11-6-7-12(9-13-11)17-5-2/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyJDBOFKNPDAPWBY-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.65
Rot. Bonds7

About N-[(5-ethoxy-2-pyridinyl)methyl]-N-methylpropane-1-sulfonamide

N-[(5-ethoxy-2-pyridinyl)methyl]-N-methylpropane-1-sulfonamide (PubChem CID 71971970) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[(5-ethoxy-2-pyridinyl)methyl]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(5-ethoxy-2-pyridinyl)methyl]-N-methylpropane-1-sulfonamide
PubChem CID71971970
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-[(5-ethoxy-2-pyridinyl)methyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)Cc1ccc(OCC)cn1
InChIInChI=1S/C12H20N2O3S/c1-4-8-18(15,16)14(3)10-11-6-7-12(9-13-11)17-5-2/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyJDBOFKNPDAPWBY-UHFFFAOYSA-N
XLogP1.65
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethoxy-2-pyridinyl)methyl]-N-methylpropane-1-sulfonamide?
The IUPAC name of N-[(5-ethoxy-2-pyridinyl)methyl]-N-methylpropane-1-sulfonamide (CID 71971970) is N-[(5-ethoxy-2-pyridinyl)methyl]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[(5-ethoxy-2-pyridinyl)methyl]-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-[(5-ethoxy-2-pyridinyl)methyl]-N-methylpropane-1-sulfonamide is CCCS(=O)(=O)N(C)Cc1ccc(OCC)cn1.
What is the InChIKey of N-[(5-ethoxy-2-pyridinyl)methyl]-N-methylpropane-1-sulfonamide?
The InChIKey is JDBOFKNPDAPWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-4-8-18(15,16)14(3)10-11-6-7-12(9-13-11)17-5-2/h6-7,9H,4-5,8,10H2,1-3H3.
What are the key properties of N-[(5-ethoxy-2-pyridinyl)methyl]-N-methylpropane-1-sulfonamide?
N-[(5-ethoxy-2-pyridinyl)methyl]-N-methylpropane-1-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethoxy-2-pyridinyl)methyl]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 71971970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).