N-ethyl-2-(oxetan-3-ylsulfanyl)pentan-3-amine

C10H21NOS — CID 79333580

IUPACN-ethyl-2-(oxetan-3-ylsulfanyl)pentan-3-amine
SMILESCCNC(CC)C(C)SC1COC1
InChIInChI=1S/C10H21NOS/c1-4-10(11-5-2)8(3)13-9-6-12-7-9/h8-11H,4-7H2,1-3H3
InChIKeyZIMGXNJMFXMIQH-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.89
Rot. Bonds6

About N-ethyl-2-(oxetan-3-ylsulfanyl)pentan-3-amine

N-ethyl-2-(oxetan-3-ylsulfanyl)pentan-3-amine (PubChem CID 79333580) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is N-ethyl-2-(oxetan-3-ylsulfanyl)pentan-3-amine.

Molecular Properties

Compound NameN-ethyl-2-(oxetan-3-ylsulfanyl)pentan-3-amine
PubChem CID79333580
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC NameN-ethyl-2-(oxetan-3-ylsulfanyl)pentan-3-amine
SMILESCCNC(CC)C(C)SC1COC1
InChIInChI=1S/C10H21NOS/c1-4-10(11-5-2)8(3)13-9-6-12-7-9/h8-11H,4-7H2,1-3H3
InChIKeyZIMGXNJMFXMIQH-UHFFFAOYSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2-(oxetan-3-ylsulfanyl)pentan-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 N-ethyl-2-(oxetan-3-ylsulfanyl)pentan-3-amine?
The IUPAC name of N-ethyl-2-(oxetan-3-ylsulfanyl)pentan-3-amine (CID 79333580) is N-ethyl-2-(oxetan-3-ylsulfanyl)pentan-3-amine.
What is the SMILES notation for N-ethyl-2-(oxetan-3-ylsulfanyl)pentan-3-amine?
The canonical SMILES for N-ethyl-2-(oxetan-3-ylsulfanyl)pentan-3-amine is CCNC(CC)C(C)SC1COC1.
What is the InChIKey of N-ethyl-2-(oxetan-3-ylsulfanyl)pentan-3-amine?
The InChIKey is ZIMGXNJMFXMIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-4-10(11-5-2)8(3)13-9-6-12-7-9/h8-11H,4-7H2,1-3H3.
What are the key properties of N-ethyl-2-(oxetan-3-ylsulfanyl)pentan-3-amine?
N-ethyl-2-(oxetan-3-ylsulfanyl)pentan-3-amine has a molecular weight of 203.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(oxetan-3-ylsulfanyl)pentan-3-amine is sourced from PubChem (CID 79333580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).