N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylcyclopropanesulfonamide

C12H18N2O3S — CID 53184968

IUPACN-[(2-ethoxy-3-pyridinyl)methyl]-N-methylcyclopropanesulfonamide
SMILESCCOc1ncccc1CN(C)S(=O)(=O)C1CC1
InChIInChI=1S/C12H18N2O3S/c1-3-17-12-10(5-4-8-13-12)9-14(2)18(15,16)11-6-7-11/h4-5,8,11H,3,6-7,9H2,1-2H3
InChIKeyFOHGZFZHTBADRQ-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.40
Rot. Bonds6

About N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylcyclopropanesulfonamide

N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylcyclopropanesulfonamide (PubChem CID 53184968) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(2-ethoxy-3-pyridinyl)methyl]-N-methylcyclopropanesulfonamide
PubChem CID53184968
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[(2-ethoxy-3-pyridinyl)methyl]-N-methylcyclopropanesulfonamide
SMILESCCOc1ncccc1CN(C)S(=O)(=O)C1CC1
InChIInChI=1S/C12H18N2O3S/c1-3-17-12-10(5-4-8-13-12)9-14(2)18(15,16)11-6-7-11/h4-5,8,11H,3,6-7,9H2,1-2H3
InChIKeyFOHGZFZHTBADRQ-UHFFFAOYSA-N
XLogP1.40
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylcyclopropanesulfonamide?
The IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylcyclopropanesulfonamide (CID 53184968) is N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylcyclopropanesulfonamide.
What is the SMILES notation for N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylcyclopropanesulfonamide?
The canonical SMILES for N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylcyclopropanesulfonamide is CCOc1ncccc1CN(C)S(=O)(=O)C1CC1.
What is the InChIKey of N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylcyclopropanesulfonamide?
The InChIKey is FOHGZFZHTBADRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-3-17-12-10(5-4-8-13-12)9-14(2)18(15,16)11-6-7-11/h4-5,8,11H,3,6-7,9H2,1-2H3.
What are the key properties of N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylcyclopropanesulfonamide?
N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylcyclopropanesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylcyclopropanesulfonamide is sourced from PubChem (CID 53184968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).