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

C10H26N4S2 — CID 20693626

IUPAC2-[2-aminoethyl-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethyl]amino]ethanethiol
SMILESNCCN(CCS)CCN(CCN)CCS
InChIInChI=1S/C10H26N4S2/c11-1-3-13(7-9-15)5-6-14(4-2-12)8-10-16/h15-16H,1-12H2
InChIKeyQNLKPTMBTSAMJG-UHFFFAOYSA-N
MW266.48 g/mol
LogP-0.63
Rot. Bonds11

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

2-[2-aminoethyl-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethyl]amino]ethanethiol (PubChem CID 20693626) has the molecular formula C10H26N4S2 and a molecular weight of 266.48 g/mol. Its IUPAC name is 2-[2-aminoethyl-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethyl]amino]ethanethiol.

Molecular Properties

Compound Name2-[2-aminoethyl-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethyl]amino]ethanethiol
PubChem CID20693626
Molecular FormulaC10H26N4S2
Molecular Weight266.48 g/mol
Exact Mass266.16
IUPAC Name2-[2-aminoethyl-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethyl]amino]ethanethiol
SMILESNCCN(CCS)CCN(CCN)CCS
InChIInChI=1S/C10H26N4S2/c11-1-3-13(7-9-15)5-6-14(4-2-12)8-10-16/h15-16H,1-12H2
InChIKeyQNLKPTMBTSAMJG-UHFFFAOYSA-N
XLogP-0.63
TPSA58.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.48
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-aminoethyl(ethyl)amino]ethanethiol
CID 145098138
2-aminoethanethiol;2-(diethylamino)ethanethiol;dihydrochloride
CID 174516424
N'-[2-[bis(2-aminoethyl)amino]ethyl]-N'-ethylethane-1,2-diamine
CID 157466747
N'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine
CID 107912667
N',N'-bis(2-aminoethyl)ethane-1,2-diamine;ethane;N-methylmethanamine
CID 163255552
2-[2-(diethylamino)ethyl-(2-sulfanylethyl)amino]ethanethiol;hydrochloride
CID 158826540
N'-[2-[2-aminoethyl-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethylamino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 171053693
N'-[2-(dimethylamino)ethyl]-N'-ethylethane-1,2-diamine;ethane
CID 143734586
2-[2-aminoethyl(2-hydroxyethyl)amino]ethanol;ethane
CID 143379141
N',N'-bis(2-aminoethyl)ethane-1,2-diamine;perchloric acid
CID 71341920
zinc bis(2-[bis(2-aminoethyl)amino]ethanethiolate)
CID 10937993
CID 50934435
CID 50934435

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethyl]amino]ethanethiol?
The IUPAC name of 2-[2-aminoethyl-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethyl]amino]ethanethiol (CID 20693626) is 2-[2-aminoethyl-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethyl]amino]ethanethiol.
What is the SMILES notation for 2-[2-aminoethyl-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethyl]amino]ethanethiol?
The canonical SMILES for 2-[2-aminoethyl-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethyl]amino]ethanethiol is NCCN(CCS)CCN(CCN)CCS.
What is the InChIKey of 2-[2-aminoethyl-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethyl]amino]ethanethiol?
The InChIKey is QNLKPTMBTSAMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N4S2/c11-1-3-13(7-9-15)5-6-14(4-2-12)8-10-16/h15-16H,1-12H2.
What are the key properties of 2-[2-aminoethyl-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethyl]amino]ethanethiol?
2-[2-aminoethyl-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethyl]amino]ethanethiol has a molecular weight of 266.48 g/mol, XLogP of -0.63, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethyl]amino]ethanethiol is sourced from PubChem (CID 20693626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).