1-ethylsulfinyl-2-methylpentan-3-amine

C8H19NOS — CID 142226257

IUPAC1-ethylsulfinyl-2-methylpentan-3-amine
SMILESCCC(N)C(C)CS(=O)CC
InChIInChI=1S/C8H19NOS/c1-4-8(9)7(3)6-11(10)5-2/h7-8H,4-6,9H2,1-3H3
InChIKeyXMFZWXMXZHMHFL-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.13
Rot. Bonds5

About 1-ethylsulfinyl-2-methylpentan-3-amine

1-ethylsulfinyl-2-methylpentan-3-amine (PubChem CID 142226257) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is 1-ethylsulfinyl-2-methylpentan-3-amine.

Molecular Properties

Compound Name1-ethylsulfinyl-2-methylpentan-3-amine
PubChem CID142226257
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Name1-ethylsulfinyl-2-methylpentan-3-amine
SMILESCCC(N)C(C)CS(=O)CC
InChIInChI=1S/C8H19NOS/c1-4-8(9)7(3)6-11(10)5-2/h7-8H,4-6,9H2,1-3H3
InChIKeyXMFZWXMXZHMHFL-UHFFFAOYSA-N
XLogP1.13
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-ethylsulfinyl-2-methylpentan-3-amine 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 1-ethylsulfinyl-2-methylpentan-3-amine?
The IUPAC name of 1-ethylsulfinyl-2-methylpentan-3-amine (CID 142226257) is 1-ethylsulfinyl-2-methylpentan-3-amine.
What is the SMILES notation for 1-ethylsulfinyl-2-methylpentan-3-amine?
The canonical SMILES for 1-ethylsulfinyl-2-methylpentan-3-amine is CCC(N)C(C)CS(=O)CC.
What is the InChIKey of 1-ethylsulfinyl-2-methylpentan-3-amine?
The InChIKey is XMFZWXMXZHMHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOS/c1-4-8(9)7(3)6-11(10)5-2/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 1-ethylsulfinyl-2-methylpentan-3-amine?
1-ethylsulfinyl-2-methylpentan-3-amine has a molecular weight of 177.31 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfinyl-2-methylpentan-3-amine is sourced from PubChem (CID 142226257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).