2-methylsulfinylethane-1,1-diamine

C3H10N2OS — CID 87580702

IUPAC2-methylsulfinylethane-1,1-diamine
SMILESCS(=O)CC(N)N
InChIInChI=1S/C3H10N2OS/c1-7(6)2-3(4)5/h3H,2,4-5H2,1H3
InChIKeyFFYHLGDHJAXIOH-UHFFFAOYSA-N
MW122.19 g/mol
LogP-1.39
Rot. Bonds2

About 2-methylsulfinylethane-1,1-diamine

2-methylsulfinylethane-1,1-diamine (PubChem CID 87580702) has the molecular formula C3H10N2OS and a molecular weight of 122.19 g/mol. Its IUPAC name is 2-methylsulfinylethane-1,1-diamine.

Molecular Properties

Compound Name2-methylsulfinylethane-1,1-diamine
PubChem CID87580702
Molecular FormulaC3H10N2OS
Molecular Weight122.19 g/mol
Exact Mass122.05
IUPAC Name2-methylsulfinylethane-1,1-diamine
SMILESCS(=O)CC(N)N
InChIInChI=1S/C3H10N2OS/c1-7(6)2-3(4)5/h3H,2,4-5H2,1H3
InChIKeyFFYHLGDHJAXIOH-UHFFFAOYSA-N
XLogP-1.39
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.19
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfinylethane-1,1-diamine?
The IUPAC name of 2-methylsulfinylethane-1,1-diamine (CID 87580702) is 2-methylsulfinylethane-1,1-diamine.
What is the SMILES notation for 2-methylsulfinylethane-1,1-diamine?
The canonical SMILES for 2-methylsulfinylethane-1,1-diamine is CS(=O)CC(N)N.
What is the InChIKey of 2-methylsulfinylethane-1,1-diamine?
The InChIKey is FFYHLGDHJAXIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2OS/c1-7(6)2-3(4)5/h3H,2,4-5H2,1H3.
What are the key properties of 2-methylsulfinylethane-1,1-diamine?
2-methylsulfinylethane-1,1-diamine has a molecular weight of 122.19 g/mol, XLogP of -1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfinylethane-1,1-diamine is sourced from PubChem (CID 87580702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).