2-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol

C8H21N3S2 — CID 90888566

IUPAC2-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol
SMILESNCCN(CCS)CCNCCS
InChIInChI=1S/C8H21N3S2/c9-1-4-11(6-8-13)5-2-10-3-7-12/h10,12-13H,1-9H2
InChIKeyOKOVCENZYNFPAA-UHFFFAOYSA-N
MW223.41 g/mol
LogP-0.30
Rot. Bonds9

About 2-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol

2-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol (PubChem CID 90888566) has the molecular formula C8H21N3S2 and a molecular weight of 223.41 g/mol. Its IUPAC name is 2-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol.

Molecular Properties

Compound Name2-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol
PubChem CID90888566
Molecular FormulaC8H21N3S2
Molecular Weight223.41 g/mol
Exact Mass223.12
IUPAC Name2-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol
SMILESNCCN(CCS)CCNCCS
InChIInChI=1S/C8H21N3S2/c9-1-4-11(6-8-13)5-2-10-3-7-12/h10,12-13H,1-9H2
InChIKeyOKOVCENZYNFPAA-UHFFFAOYSA-N
XLogP-0.30
TPSA41.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.41
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-Aminoethyl)amino]ethane-1-thiol
CID 6397706
2-{[2-(Diethylamino)ethyl]amino}ethane-1-thiol
CID 15889018
2-[2-(Ethylamino)ethylamino]ethanethiol
CID 211753
1,4,7-Trithia-10,13-diazacyclopentadecane
CID 11651878
1,4,7-Trithia-10,13,16-triazacyclooctadecane
CID 86241444
2-(1,4,7,10-Tetrazacyclododec-1-yl)ethanethiol
CID 101170212
2,11-Dithio-5,8-diazadodecane
CID 129760676
2-((2-((2-Aminoethyl)amino)ethyl)amino)ethane-1-thiol
CID 10057846
2-[2-(2-Sulfanylethylamino)ethylamino]ethanethiol
CID 10329942
2-[2-(2-Aminoethylamino)ethylsulfanyl]ethanethiol
CID 10375043
2-[Bis(2-aminoethyl)amino]ethanethiol
CID 10937994
2-[2-(2-Sulfanylethylamino)ethylamino]ethanethiol;dihydrochloride
CID 13788967

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol?
The IUPAC name of 2-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol (CID 90888566) is 2-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol.
What is the SMILES notation for 2-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol?
The canonical SMILES for 2-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol is NCCN(CCS)CCNCCS.
What is the InChIKey of 2-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol?
The InChIKey is OKOVCENZYNFPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3S2/c9-1-4-11(6-8-13)5-2-10-3-7-12/h10,12-13H,1-9H2.
What are the key properties of 2-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol?
2-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol has a molecular weight of 223.41 g/mol, XLogP of -0.30, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol is sourced from PubChem (CID 90888566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).