2-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfanyl]propanamide

C10H22N2O2S — CID 155455216

IUPAC2-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfanyl]propanamide
SMILESCNCCOCCCSNC(=O)C(C)C
InChIInChI=1S/C10H22N2O2S/c1-9(2)10(13)12-15-8-4-6-14-7-5-11-3/h9,11H,4-8H2,1-3H3,(H,12,13)
InChIKeyIINZKTRMAYLLBP-UHFFFAOYSA-N
MW234.36 g/mol
LogP1.03
Rot. Bonds9

About 2-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfanyl]propanamide

2-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfanyl]propanamide (PubChem CID 155455216) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 2-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfanyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfanyl]propanamide
PubChem CID155455216
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name2-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfanyl]propanamide
SMILESCNCCOCCCSNC(=O)C(C)C
InChIInChI=1S/C10H22N2O2S/c1-9(2)10(13)12-15-8-4-6-14-7-5-11-3/h9,11H,4-8H2,1-3H3,(H,12,13)
InChIKeyIINZKTRMAYLLBP-UHFFFAOYSA-N
XLogP1.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfanyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfanyl]propanamide (CID 155455216) is 2-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfanyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfanyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfanyl]propanamide is CNCCOCCCSNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfanyl]propanamide?
The InChIKey is IINZKTRMAYLLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-9(2)10(13)12-15-8-4-6-14-7-5-11-3/h9,11H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 2-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfanyl]propanamide?
2-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfanyl]propanamide has a molecular weight of 234.36 g/mol, XLogP of 1.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[2-(methylamino)ethoxy]propylsulfanyl]propanamide is sourced from PubChem (CID 155455216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).