2-(2-methylsulfonylethylsulfanyl)propan-1-amine

C6H15NO2S2 — CID 63659927

IUPAC2-(2-methylsulfonylethylsulfanyl)propan-1-amine
SMILESCC(CN)SCCS(C)(=O)=O
InChIInChI=1S/C6H15NO2S2/c1-6(5-7)10-3-4-11(2,8)9/h6H,3-5,7H2,1-2H3
InChIKeyUAGJRGVMAARBJE-UHFFFAOYSA-N
MW197.32 g/mol
LogP0.11
Rot. Bonds5

About 2-(2-methylsulfonylethylsulfanyl)propan-1-amine

2-(2-methylsulfonylethylsulfanyl)propan-1-amine (PubChem CID 63659927) has the molecular formula C6H15NO2S2 and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-(2-methylsulfonylethylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-methylsulfonylethylsulfanyl)propan-1-amine
PubChem CID63659927
Molecular FormulaC6H15NO2S2
Molecular Weight197.32 g/mol
Exact Mass197.05
IUPAC Name2-(2-methylsulfonylethylsulfanyl)propan-1-amine
SMILESCC(CN)SCCS(C)(=O)=O
InChIInChI=1S/C6H15NO2S2/c1-6(5-7)10-3-4-11(2,8)9/h6H,3-5,7H2,1-2H3
InChIKeyUAGJRGVMAARBJE-UHFFFAOYSA-N
XLogP0.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylethylsulfanyl)propan-1-amine?
The IUPAC name of 2-(2-methylsulfonylethylsulfanyl)propan-1-amine (CID 63659927) is 2-(2-methylsulfonylethylsulfanyl)propan-1-amine.
What is the SMILES notation for 2-(2-methylsulfonylethylsulfanyl)propan-1-amine?
The canonical SMILES for 2-(2-methylsulfonylethylsulfanyl)propan-1-amine is CC(CN)SCCS(C)(=O)=O.
What is the InChIKey of 2-(2-methylsulfonylethylsulfanyl)propan-1-amine?
The InChIKey is UAGJRGVMAARBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S2/c1-6(5-7)10-3-4-11(2,8)9/h6H,3-5,7H2,1-2H3.
What are the key properties of 2-(2-methylsulfonylethylsulfanyl)propan-1-amine?
2-(2-methylsulfonylethylsulfanyl)propan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethylsulfanyl)propan-1-amine is sourced from PubChem (CID 63659927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).