2-[ethyl-[3-[ethyl(2-sulfanylethyl)amino]propyl]amino]ethanethiol

C11H26N2S2 — CID 12011572

IUPAC2-[ethyl-[3-[ethyl(2-sulfanylethyl)amino]propyl]amino]ethanethiol
SMILESCCN(CCS)CCCN(CC)CCS
InChIInChI=1S/C11H26N2S2/c1-3-12(8-10-14)6-5-7-13(4-2)9-11-15/h14-15H,3-11H2,1-2H3
InChIKeyQDMJFAAQWFACMI-UHFFFAOYSA-N
MW250.48 g/mol
LogP1.88
Rot. Bonds10

About 2-[ethyl-[3-[ethyl(2-sulfanylethyl)amino]propyl]amino]ethanethiol

2-[ethyl-[3-[ethyl(2-sulfanylethyl)amino]propyl]amino]ethanethiol (PubChem CID 12011572) has the molecular formula C11H26N2S2 and a molecular weight of 250.48 g/mol. Its IUPAC name is 2-[ethyl-[3-[ethyl(2-sulfanylethyl)amino]propyl]amino]ethanethiol.

Molecular Properties

Compound Name2-[ethyl-[3-[ethyl(2-sulfanylethyl)amino]propyl]amino]ethanethiol
PubChem CID12011572
Molecular FormulaC11H26N2S2
Molecular Weight250.48 g/mol
Exact Mass250.15
IUPAC Name2-[ethyl-[3-[ethyl(2-sulfanylethyl)amino]propyl]amino]ethanethiol
SMILESCCN(CCS)CCCN(CC)CCS
InChIInChI=1S/C11H26N2S2/c1-3-12(8-10-14)6-5-7-13(4-2)9-11-15/h14-15H,3-11H2,1-2H3
InChIKeyQDMJFAAQWFACMI-UHFFFAOYSA-N
XLogP1.88
TPSA6.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.48
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[ethyl(2-sulfanylethyl)amino]propyl]amino]ethanethiol?
The IUPAC name of 2-[ethyl-[3-[ethyl(2-sulfanylethyl)amino]propyl]amino]ethanethiol (CID 12011572) is 2-[ethyl-[3-[ethyl(2-sulfanylethyl)amino]propyl]amino]ethanethiol.
What is the SMILES notation for 2-[ethyl-[3-[ethyl(2-sulfanylethyl)amino]propyl]amino]ethanethiol?
The canonical SMILES for 2-[ethyl-[3-[ethyl(2-sulfanylethyl)amino]propyl]amino]ethanethiol is CCN(CCS)CCCN(CC)CCS.
What is the InChIKey of 2-[ethyl-[3-[ethyl(2-sulfanylethyl)amino]propyl]amino]ethanethiol?
The InChIKey is QDMJFAAQWFACMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2S2/c1-3-12(8-10-14)6-5-7-13(4-2)9-11-15/h14-15H,3-11H2,1-2H3.
What are the key properties of 2-[ethyl-[3-[ethyl(2-sulfanylethyl)amino]propyl]amino]ethanethiol?
2-[ethyl-[3-[ethyl(2-sulfanylethyl)amino]propyl]amino]ethanethiol has a molecular weight of 250.48 g/mol, XLogP of 1.88, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[ethyl(2-sulfanylethyl)amino]propyl]amino]ethanethiol is sourced from PubChem (CID 12011572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).