2-[4-(ethylamino)heptan-3-ylsulfanyl]ethanol

C11H25NOS — CID 64612942

IUPAC2-[4-(ethylamino)heptan-3-ylsulfanyl]ethanol
SMILESCCCC(NCC)C(CC)SCCO
InChIInChI=1S/C11H25NOS/c1-4-7-10(12-6-3)11(5-2)14-9-8-13/h10-13H,4-9H2,1-3H3
InChIKeyKFAIDOVBKZGSFE-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.27
Rot. Bonds9

About 2-[4-(ethylamino)heptan-3-ylsulfanyl]ethanol

2-[4-(ethylamino)heptan-3-ylsulfanyl]ethanol (PubChem CID 64612942) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is 2-[4-(ethylamino)heptan-3-ylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[4-(ethylamino)heptan-3-ylsulfanyl]ethanol
PubChem CID64612942
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name2-[4-(ethylamino)heptan-3-ylsulfanyl]ethanol
SMILESCCCC(NCC)C(CC)SCCO
InChIInChI=1S/C11H25NOS/c1-4-7-10(12-6-3)11(5-2)14-9-8-13/h10-13H,4-9H2,1-3H3
InChIKeyKFAIDOVBKZGSFE-UHFFFAOYSA-N
XLogP2.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(ethylamino)heptan-3-ylsulfanyl]ethanol 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 2-[4-(ethylamino)heptan-3-ylsulfanyl]ethanol?
The IUPAC name of 2-[4-(ethylamino)heptan-3-ylsulfanyl]ethanol (CID 64612942) is 2-[4-(ethylamino)heptan-3-ylsulfanyl]ethanol.
What is the SMILES notation for 2-[4-(ethylamino)heptan-3-ylsulfanyl]ethanol?
The canonical SMILES for 2-[4-(ethylamino)heptan-3-ylsulfanyl]ethanol is CCCC(NCC)C(CC)SCCO.
What is the InChIKey of 2-[4-(ethylamino)heptan-3-ylsulfanyl]ethanol?
The InChIKey is KFAIDOVBKZGSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-4-7-10(12-6-3)11(5-2)14-9-8-13/h10-13H,4-9H2,1-3H3.
What are the key properties of 2-[4-(ethylamino)heptan-3-ylsulfanyl]ethanol?
2-[4-(ethylamino)heptan-3-ylsulfanyl]ethanol has a molecular weight of 219.39 g/mol, XLogP of 2.27, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylamino)heptan-3-ylsulfanyl]ethanol is sourced from PubChem (CID 64612942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).