N-[2-(2-aminoethyldisulfanyl)ethyl]prop-2-en-1-amine

C7H16N2S2 — CID 142721896

IUPACN-[2-(2-aminoethyldisulfanyl)ethyl]prop-2-en-1-amine
SMILESC=CCNCCSSCCN
InChIInChI=1S/C7H16N2S2/c1-2-4-9-5-7-11-10-6-3-8/h2,9H,1,3-8H2
InChIKeyXPIWJHFCBHJIGK-UHFFFAOYSA-N
MW192.35 g/mol
LogP1.10
Rot. Bonds8

About N-[2-(2-aminoethyldisulfanyl)ethyl]prop-2-en-1-amine

N-[2-(2-aminoethyldisulfanyl)ethyl]prop-2-en-1-amine (PubChem CID 142721896) has the molecular formula C7H16N2S2 and a molecular weight of 192.35 g/mol. Its IUPAC name is N-[2-(2-aminoethyldisulfanyl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(2-aminoethyldisulfanyl)ethyl]prop-2-en-1-amine
PubChem CID142721896
Molecular FormulaC7H16N2S2
Molecular Weight192.35 g/mol
Exact Mass192.08
IUPAC NameN-[2-(2-aminoethyldisulfanyl)ethyl]prop-2-en-1-amine
SMILESC=CCNCCSSCCN
InChIInChI=1S/C7H16N2S2/c1-2-4-9-5-7-11-10-6-3-8/h2,9H,1,3-8H2
InChIKeyXPIWJHFCBHJIGK-UHFFFAOYSA-N
XLogP1.10
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethanethiol, 2-allylamino-
CID 201366
3-(Prop-2-enylamino)propane-1-thiol
CID 20203402
Bis(prop-2-enyl)-(2-sulfanylethyl)azanium
CID 40511787
1-(Prop-2-enylamino)ethanethiol
CID 57101483
N-[2-(aziridin-1-ylsulfanyl)ethyl]prop-2-en-1-amine
CID 59878199
1-(1-Aminoprop-2-enyldisulfanyl)prop-2-en-1-amine
CID 87295265
2-(Prop-2-enylamino)ethanethial
CID 88198450
N-ethyl-3-methylsulfanylprop-2-en-1-amine
CID 91016985
1-(Prop-2-enylamino)prop-2-ene-1-thiol
CID 173054564
Bis(prop-2-enyl)-prop-2-enylsulfanylazanium
CID 173120425
1-prop-2-enylsulfanyl-N-(1-prop-2-enylsulfanylprop-2-enyl)prop-2-en-1-amine
CID 173474477
N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;3H-dithiole
CID 175154693

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethyldisulfanyl)ethyl]prop-2-en-1-amine?
The IUPAC name of N-[2-(2-aminoethyldisulfanyl)ethyl]prop-2-en-1-amine (CID 142721896) is N-[2-(2-aminoethyldisulfanyl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[2-(2-aminoethyldisulfanyl)ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[2-(2-aminoethyldisulfanyl)ethyl]prop-2-en-1-amine is C=CCNCCSSCCN.
What is the InChIKey of N-[2-(2-aminoethyldisulfanyl)ethyl]prop-2-en-1-amine?
The InChIKey is XPIWJHFCBHJIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S2/c1-2-4-9-5-7-11-10-6-3-8/h2,9H,1,3-8H2.
What are the key properties of N-[2-(2-aminoethyldisulfanyl)ethyl]prop-2-en-1-amine?
N-[2-(2-aminoethyldisulfanyl)ethyl]prop-2-en-1-amine has a molecular weight of 192.35 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethyldisulfanyl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 142721896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).