N-ethyl-3-methylsulfanyloxan-4-amine

C8H17NOS — CID 64626479

IUPACN-ethyl-3-methylsulfanyloxan-4-amine
SMILESCCNC1CCOCC1SC
InChIInChI=1S/C8H17NOS/c1-3-9-7-4-5-10-6-8(7)11-2/h7-9H,3-6H2,1-2H3
InChIKeyYLRVJXLSKBMDDR-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.12
Rot. Bonds3

About N-ethyl-3-methylsulfanyloxan-4-amine

N-ethyl-3-methylsulfanyloxan-4-amine (PubChem CID 64626479) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is N-ethyl-3-methylsulfanyloxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-methylsulfanyloxan-4-amine
PubChem CID64626479
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC NameN-ethyl-3-methylsulfanyloxan-4-amine
SMILESCCNC1CCOCC1SC
InChIInChI=1S/C8H17NOS/c1-3-9-7-4-5-10-6-8(7)11-2/h7-9H,3-6H2,1-2H3
InChIKeyYLRVJXLSKBMDDR-UHFFFAOYSA-N
XLogP1.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-3-methylsulfanyloxan-4-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-3-methylsulfanyloxan-4-amine?
The IUPAC name of N-ethyl-3-methylsulfanyloxan-4-amine (CID 64626479) is N-ethyl-3-methylsulfanyloxan-4-amine.
What is the SMILES notation for N-ethyl-3-methylsulfanyloxan-4-amine?
The canonical SMILES for N-ethyl-3-methylsulfanyloxan-4-amine is CCNC1CCOCC1SC.
What is the InChIKey of N-ethyl-3-methylsulfanyloxan-4-amine?
The InChIKey is YLRVJXLSKBMDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-3-9-7-4-5-10-6-8(7)11-2/h7-9H,3-6H2,1-2H3.
What are the key properties of N-ethyl-3-methylsulfanyloxan-4-amine?
N-ethyl-3-methylsulfanyloxan-4-amine has a molecular weight of 175.30 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methylsulfanyloxan-4-amine is sourced from PubChem (CID 64626479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).