3-[2-(methylamino)ethylsulfinyl]-N-propylpropanamide

C9H20N2O2S — CID 121428702

IUPAC3-[2-(methylamino)ethylsulfinyl]-N-propylpropanamide
SMILESCCCNC(=O)CCS(=O)CCNC
InChIInChI=1S/C9H20N2O2S/c1-3-5-11-9(12)4-7-14(13)8-6-10-2/h10H,3-8H2,1-2H3,(H,11,12)
InChIKeyILVHIPBRPGIRHE-UHFFFAOYSA-N
MW220.34 g/mol
LogP-0.13
Rot. Bonds8

About 3-[2-(methylamino)ethylsulfinyl]-N-propylpropanamide

3-[2-(methylamino)ethylsulfinyl]-N-propylpropanamide (PubChem CID 121428702) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 3-[2-(methylamino)ethylsulfinyl]-N-propylpropanamide.

Molecular Properties

Compound Name3-[2-(methylamino)ethylsulfinyl]-N-propylpropanamide
PubChem CID121428702
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name3-[2-(methylamino)ethylsulfinyl]-N-propylpropanamide
SMILESCCCNC(=O)CCS(=O)CCNC
InChIInChI=1S/C9H20N2O2S/c1-3-5-11-9(12)4-7-14(13)8-6-10-2/h10H,3-8H2,1-2H3,(H,11,12)
InChIKeyILVHIPBRPGIRHE-UHFFFAOYSA-N
XLogP-0.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)ethylsulfinyl]-N-propylpropanamide?
The IUPAC name of 3-[2-(methylamino)ethylsulfinyl]-N-propylpropanamide (CID 121428702) is 3-[2-(methylamino)ethylsulfinyl]-N-propylpropanamide.
What is the SMILES notation for 3-[2-(methylamino)ethylsulfinyl]-N-propylpropanamide?
The canonical SMILES for 3-[2-(methylamino)ethylsulfinyl]-N-propylpropanamide is CCCNC(=O)CCS(=O)CCNC.
What is the InChIKey of 3-[2-(methylamino)ethylsulfinyl]-N-propylpropanamide?
The InChIKey is ILVHIPBRPGIRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-3-5-11-9(12)4-7-14(13)8-6-10-2/h10H,3-8H2,1-2H3,(H,11,12).
What are the key properties of 3-[2-(methylamino)ethylsulfinyl]-N-propylpropanamide?
3-[2-(methylamino)ethylsulfinyl]-N-propylpropanamide has a molecular weight of 220.34 g/mol, XLogP of -0.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)ethylsulfinyl]-N-propylpropanamide is sourced from PubChem (CID 121428702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).