N,N-dimethyl-N',N'-bis[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine

C14H34N4S4 — CID 143744842

IUPACN,N-dimethyl-N',N'-bis[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine
SMILESCNCCSSCCN(CCSSCCNC)CCN(C)C
InChIInChI=1S/C14H34N4S4/c1-15-5-11-19-21-13-9-18(8-7-17(3)4)10-14-22-20-12-6-16-2/h15-16H,5-14H2,1-4H3
InChIKeyQHSFJGFRGZXIAV-UHFFFAOYSA-N
MW386.72 g/mol
LogP2.05
Rot. Bonds17

About N,N-dimethyl-N',N'-bis[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine

N,N-dimethyl-N',N'-bis[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine (PubChem CID 143744842) has the molecular formula C14H34N4S4 and a molecular weight of 386.72 g/mol. Its IUPAC name is N,N-dimethyl-N',N'-bis[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N',N'-bis[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine
PubChem CID143744842
Molecular FormulaC14H34N4S4
Molecular Weight386.72 g/mol
Exact Mass386.17
IUPAC NameN,N-dimethyl-N',N'-bis[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine
SMILESCNCCSSCCN(CCSSCCNC)CCN(C)C
InChIInChI=1S/C14H34N4S4/c1-15-5-11-19-21-13-9-18(8-7-17(3)4)10-14-22-20-12-6-16-2/h15-16H,5-14H2,1-4H3
InChIKeyQHSFJGFRGZXIAV-UHFFFAOYSA-N
XLogP2.05
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.72
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-{[2-(Diethylamino)ethyl]amino}ethane-1-thiol
CID 15889018
2-(1,4,7,10-Tetrazacyclododec-1-yl)ethanethiol
CID 101170212
2-[2-Aminoethyl-[2-[2-aminoethyl(2-sulfanylethyl)amino]ethyl]amino]ethanethiol
CID 20693626
2-[2-[2-(2-Aminoethyldisulfanyl)ethyl-methylamino]ethyldisulfanyl]ethanamine
CID 20813436
4,7,13,16-Tetrathia-1,10,21,24-tetrazabicyclo[8.8.8]hexacosane
CID 21316281
2-[2-[Methyl(2-sulfanylethyl)amino]ethylamino]ethanethiol
CID 58960455
2-[2-(Methylamino)ethyl-(2-sulfanylethyl)amino]ethanethiol
CID 59641410
2-[2-[Ethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol
CID 59912905
2-[2-(2-Aminoethylamino)ethyl-ethylamino]ethanethiol
CID 71470810
N'-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]-N,N-dimethyl-N'-[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine
CID 89213549
2-[2-[2-Aminoethyl(2-sulfanylethyl)amino]ethylamino]ethanethiol
CID 90888566
N'-ethylsulfanyl-N-[(methyldisulfanyl)methyl]ethane-1,2-diamine;N-[(methyldisulfanyl)methyl]-N'-(methylsulfanylmethylsulfanyl)ethane-1,2-diamine
CID 91344503

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N',N'-bis[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N',N'-bis[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine (CID 143744842) is N,N-dimethyl-N',N'-bis[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N',N'-bis[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N',N'-bis[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine is CNCCSSCCN(CCSSCCNC)CCN(C)C.
What is the InChIKey of N,N-dimethyl-N',N'-bis[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine?
The InChIKey is QHSFJGFRGZXIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H34N4S4/c1-15-5-11-19-21-13-9-18(8-7-17(3)4)10-14-22-20-12-6-16-2/h15-16H,5-14H2,1-4H3.
What are the key properties of N,N-dimethyl-N',N'-bis[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine?
N,N-dimethyl-N',N'-bis[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine has a molecular weight of 386.72 g/mol, XLogP of 2.05, 17 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N',N'-bis[2-[2-(methylamino)ethyldisulfanyl]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 143744842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).