N-[(6-ethyl-3-pyridinyl)sulfinyl]propanamide

C10H14N2O2S — CID 156713382

IUPACN-[(6-ethyl-3-pyridinyl)sulfinyl]propanamide
SMILESCCC(=O)NS(=O)c1ccc(CC)nc1
InChIInChI=1S/C10H14N2O2S/c1-3-8-5-6-9(7-11-8)15(14)12-10(13)4-2/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyCQFLZWJKRPGLHG-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.19
Rot. Bonds4

About N-[(6-ethyl-3-pyridinyl)sulfinyl]propanamide

N-[(6-ethyl-3-pyridinyl)sulfinyl]propanamide (PubChem CID 156713382) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is N-[(6-ethyl-3-pyridinyl)sulfinyl]propanamide.

Molecular Properties

Compound NameN-[(6-ethyl-3-pyridinyl)sulfinyl]propanamide
PubChem CID156713382
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC NameN-[(6-ethyl-3-pyridinyl)sulfinyl]propanamide
SMILESCCC(=O)NS(=O)c1ccc(CC)nc1
InChIInChI=1S/C10H14N2O2S/c1-3-8-5-6-9(7-11-8)15(14)12-10(13)4-2/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyCQFLZWJKRPGLHG-UHFFFAOYSA-N
XLogP1.19
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-ethyl-3-pyridinyl)sulfinyl]propanamide?
The IUPAC name of N-[(6-ethyl-3-pyridinyl)sulfinyl]propanamide (CID 156713382) is N-[(6-ethyl-3-pyridinyl)sulfinyl]propanamide.
What is the SMILES notation for N-[(6-ethyl-3-pyridinyl)sulfinyl]propanamide?
The canonical SMILES for N-[(6-ethyl-3-pyridinyl)sulfinyl]propanamide is CCC(=O)NS(=O)c1ccc(CC)nc1.
What is the InChIKey of N-[(6-ethyl-3-pyridinyl)sulfinyl]propanamide?
The InChIKey is CQFLZWJKRPGLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-3-8-5-6-9(7-11-8)15(14)12-10(13)4-2/h5-7H,3-4H2,1-2H3,(H,12,13).
What are the key properties of N-[(6-ethyl-3-pyridinyl)sulfinyl]propanamide?
N-[(6-ethyl-3-pyridinyl)sulfinyl]propanamide has a molecular weight of 226.30 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-ethyl-3-pyridinyl)sulfinyl]propanamide is sourced from PubChem (CID 156713382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).