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

C13H31N3S3 — CID 129042196

IUPAC2-[2-[2-[propyl(2-sulfanylethyl)amino]ethyl-(2-sulfanylethyl)amino]ethylamino]ethanethiol
SMILESCCCN(CCS)CCN(CCS)CCNCCS
InChIInChI=1S/C13H31N3S3/c1-2-5-15(9-12-18)7-8-16(10-13-19)6-3-14-4-11-17/h14,17-19H,2-13H2,1H3
InChIKeyUAXHRAMCODZMQX-UHFFFAOYSA-N
MW325.61 g/mol
LogP1.38
Rot. Bonds14

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

2-[2-[2-[propyl(2-sulfanylethyl)amino]ethyl-(2-sulfanylethyl)amino]ethylamino]ethanethiol (PubChem CID 129042196) has the molecular formula C13H31N3S3 and a molecular weight of 325.61 g/mol. Its IUPAC name is 2-[2-[2-[propyl(2-sulfanylethyl)amino]ethyl-(2-sulfanylethyl)amino]ethylamino]ethanethiol.

Molecular Properties

Compound Name2-[2-[2-[propyl(2-sulfanylethyl)amino]ethyl-(2-sulfanylethyl)amino]ethylamino]ethanethiol
PubChem CID129042196
Molecular FormulaC13H31N3S3
Molecular Weight325.61 g/mol
Exact Mass325.17
IUPAC Name2-[2-[2-[propyl(2-sulfanylethyl)amino]ethyl-(2-sulfanylethyl)amino]ethylamino]ethanethiol
SMILESCCCN(CCS)CCN(CCS)CCNCCS
InChIInChI=1S/C13H31N3S3/c1-2-5-15(9-12-18)7-8-16(10-13-19)6-3-14-4-11-17/h14,17-19H,2-13H2,1H3
InChIKeyUAXHRAMCODZMQX-UHFFFAOYSA-N
XLogP1.38
TPSA18.51 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.61
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[propyl(2-sulfanylethyl)amino]ethyl-(2-sulfanylethyl)amino]ethylamino]ethanethiol?
The IUPAC name of 2-[2-[2-[propyl(2-sulfanylethyl)amino]ethyl-(2-sulfanylethyl)amino]ethylamino]ethanethiol (CID 129042196) is 2-[2-[2-[propyl(2-sulfanylethyl)amino]ethyl-(2-sulfanylethyl)amino]ethylamino]ethanethiol.
What is the SMILES notation for 2-[2-[2-[propyl(2-sulfanylethyl)amino]ethyl-(2-sulfanylethyl)amino]ethylamino]ethanethiol?
The canonical SMILES for 2-[2-[2-[propyl(2-sulfanylethyl)amino]ethyl-(2-sulfanylethyl)amino]ethylamino]ethanethiol is CCCN(CCS)CCN(CCS)CCNCCS.
What is the InChIKey of 2-[2-[2-[propyl(2-sulfanylethyl)amino]ethyl-(2-sulfanylethyl)amino]ethylamino]ethanethiol?
The InChIKey is UAXHRAMCODZMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3S3/c1-2-5-15(9-12-18)7-8-16(10-13-19)6-3-14-4-11-17/h14,17-19H,2-13H2,1H3.
What are the key properties of 2-[2-[2-[propyl(2-sulfanylethyl)amino]ethyl-(2-sulfanylethyl)amino]ethylamino]ethanethiol?
2-[2-[2-[propyl(2-sulfanylethyl)amino]ethyl-(2-sulfanylethyl)amino]ethylamino]ethanethiol has a molecular weight of 325.61 g/mol, XLogP of 1.38, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[propyl(2-sulfanylethyl)amino]ethyl-(2-sulfanylethyl)amino]ethylamino]ethanethiol is sourced from PubChem (CID 129042196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).