3-(2-aminoethylsulfinyl)-N-propylpropanamide;ethane

C10H24N2O2S — CID 145373218

IUPAC3-(2-aminoethylsulfinyl)-N-propylpropanamide;ethane
SMILESCC.CCCNC(=O)CCS(=O)CCN
InChIInChI=1S/C8H18N2O2S.C2H6/c1-2-5-10-8(11)3-6-13(12)7-4-9;1-2/h2-7,9H2,1H3,(H,10,11);1-2H3
InChIKeyWPBHKKAUCCKJIZ-UHFFFAOYSA-N
MW236.38 g/mol
LogP0.64
Rot. Bonds7

About 3-(2-aminoethylsulfinyl)-N-propylpropanamide;ethane

3-(2-aminoethylsulfinyl)-N-propylpropanamide;ethane (PubChem CID 145373218) has the molecular formula C10H24N2O2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 3-(2-aminoethylsulfinyl)-N-propylpropanamide;ethane.

Molecular Properties

Compound Name3-(2-aminoethylsulfinyl)-N-propylpropanamide;ethane
PubChem CID145373218
Molecular FormulaC10H24N2O2S
Molecular Weight236.38 g/mol
Exact Mass236.16
IUPAC Name3-(2-aminoethylsulfinyl)-N-propylpropanamide;ethane
SMILESCC.CCCNC(=O)CCS(=O)CCN
InChIInChI=1S/C8H18N2O2S.C2H6/c1-2-5-10-8(11)3-6-13(12)7-4-9;1-2/h2-7,9H2,1H3,(H,10,11);1-2H3
InChIKeyWPBHKKAUCCKJIZ-UHFFFAOYSA-N
XLogP0.64
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethylsulfinyl)-N-propylpropanamide;ethane?
The IUPAC name of 3-(2-aminoethylsulfinyl)-N-propylpropanamide;ethane (CID 145373218) is 3-(2-aminoethylsulfinyl)-N-propylpropanamide;ethane.
What is the SMILES notation for 3-(2-aminoethylsulfinyl)-N-propylpropanamide;ethane?
The canonical SMILES for 3-(2-aminoethylsulfinyl)-N-propylpropanamide;ethane is CC.CCCNC(=O)CCS(=O)CCN.
What is the InChIKey of 3-(2-aminoethylsulfinyl)-N-propylpropanamide;ethane?
The InChIKey is WPBHKKAUCCKJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S.C2H6/c1-2-5-10-8(11)3-6-13(12)7-4-9;1-2/h2-7,9H2,1H3,(H,10,11);1-2H3.
What are the key properties of 3-(2-aminoethylsulfinyl)-N-propylpropanamide;ethane?
3-(2-aminoethylsulfinyl)-N-propylpropanamide;ethane has a molecular weight of 236.38 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylsulfinyl)-N-propylpropanamide;ethane is sourced from PubChem (CID 145373218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).