N-ethyl-2-methylsulfinylethanamine

C5H13NOS — CID 54366498

IUPACN-ethyl-2-methylsulfinylethanamine
SMILESCCNCCS(C)=O
InChIInChI=1S/C5H13NOS/c1-3-6-4-5-8(2)7/h6H,3-5H2,1-2H3
InChIKeyZCYFVCPSPKKYCT-UHFFFAOYSA-N
MW135.23 g/mol
LogP-0.03
Rot. Bonds4

About N-ethyl-2-methylsulfinylethanamine

N-ethyl-2-methylsulfinylethanamine (PubChem CID 54366498) has the molecular formula C5H13NOS and a molecular weight of 135.23 g/mol. Its IUPAC name is N-ethyl-2-methylsulfinylethanamine.

Molecular Properties

Compound NameN-ethyl-2-methylsulfinylethanamine
PubChem CID54366498
Molecular FormulaC5H13NOS
Molecular Weight135.23 g/mol
Exact Mass135.07
IUPAC NameN-ethyl-2-methylsulfinylethanamine
SMILESCCNCCS(C)=O
InChIInChI=1S/C5H13NOS/c1-3-6-4-5-8(2)7/h6H,3-5H2,1-2H3
InChIKeyZCYFVCPSPKKYCT-UHFFFAOYSA-N
XLogP-0.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylsulfinylethanamine?
The IUPAC name of N-ethyl-2-methylsulfinylethanamine (CID 54366498) is N-ethyl-2-methylsulfinylethanamine.
What is the SMILES notation for N-ethyl-2-methylsulfinylethanamine?
The canonical SMILES for N-ethyl-2-methylsulfinylethanamine is CCNCCS(C)=O.
What is the InChIKey of N-ethyl-2-methylsulfinylethanamine?
The InChIKey is ZCYFVCPSPKKYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NOS/c1-3-6-4-5-8(2)7/h6H,3-5H2,1-2H3.
What are the key properties of N-ethyl-2-methylsulfinylethanamine?
N-ethyl-2-methylsulfinylethanamine has a molecular weight of 135.23 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylsulfinylethanamine is sourced from PubChem (CID 54366498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).