N-(fluoromethyl)-2-methylsulfinylethanamine

C4H10FNOS — CID 143208165

IUPACN-(fluoromethyl)-2-methylsulfinylethanamine
SMILESCS(=O)CCNCF
InChIInChI=1S/C4H10FNOS/c1-8(7)3-2-6-4-5/h6H,2-4H2,1H3
InChIKeyHDMXGWPCEQGWBN-UHFFFAOYSA-N
MW139.19 g/mol
LogP-0.12
Rot. Bonds4

About N-(fluoromethyl)-2-methylsulfinylethanamine

N-(fluoromethyl)-2-methylsulfinylethanamine (PubChem CID 143208165) has the molecular formula C4H10FNOS and a molecular weight of 139.19 g/mol. Its IUPAC name is N-(fluoromethyl)-2-methylsulfinylethanamine.

Molecular Properties

Compound NameN-(fluoromethyl)-2-methylsulfinylethanamine
PubChem CID143208165
Molecular FormulaC4H10FNOS
Molecular Weight139.19 g/mol
Exact Mass139.05
IUPAC NameN-(fluoromethyl)-2-methylsulfinylethanamine
SMILESCS(=O)CCNCF
InChIInChI=1S/C4H10FNOS/c1-8(7)3-2-6-4-5/h6H,2-4H2,1H3
InChIKeyHDMXGWPCEQGWBN-UHFFFAOYSA-N
XLogP-0.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze N-(fluoromethyl)-2-methylsulfinylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(fluoromethyl)-2-methylsulfinylethanamine?
The IUPAC name of N-(fluoromethyl)-2-methylsulfinylethanamine (CID 143208165) is N-(fluoromethyl)-2-methylsulfinylethanamine.
What is the SMILES notation for N-(fluoromethyl)-2-methylsulfinylethanamine?
The canonical SMILES for N-(fluoromethyl)-2-methylsulfinylethanamine is CS(=O)CCNCF.
What is the InChIKey of N-(fluoromethyl)-2-methylsulfinylethanamine?
The InChIKey is HDMXGWPCEQGWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FNOS/c1-8(7)3-2-6-4-5/h6H,2-4H2,1H3.
What are the key properties of N-(fluoromethyl)-2-methylsulfinylethanamine?
N-(fluoromethyl)-2-methylsulfinylethanamine has a molecular weight of 139.19 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoromethyl)-2-methylsulfinylethanamine is sourced from PubChem (CID 143208165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).