1-(3-aminobutan-2-yldisulfanyl)-3-(2-aminoethylsulfanyl)but-3-en-2-amine

C10H23N3S3 — CID 170009803

IUPAC1-(3-aminobutan-2-yldisulfanyl)-3-(2-aminoethylsulfanyl)but-3-en-2-amine
SMILESC=C(SCCN)C(N)CSSC(C)C(C)N
InChIInChI=1S/C10H23N3S3/c1-7(12)8(2)16-15-6-10(13)9(3)14-5-4-11/h7-8,10H,3-6,11-13H2,1-2H3
InChIKeyWJXCTNLRRHATTQ-UHFFFAOYSA-N
MW281.52 g/mol
LogP1.64
Rot. Bonds9

About 1-(3-aminobutan-2-yldisulfanyl)-3-(2-aminoethylsulfanyl)but-3-en-2-amine

1-(3-aminobutan-2-yldisulfanyl)-3-(2-aminoethylsulfanyl)but-3-en-2-amine (PubChem CID 170009803) has the molecular formula C10H23N3S3 and a molecular weight of 281.52 g/mol. Its IUPAC name is 1-(3-aminobutan-2-yldisulfanyl)-3-(2-aminoethylsulfanyl)but-3-en-2-amine.

Molecular Properties

Compound Name1-(3-aminobutan-2-yldisulfanyl)-3-(2-aminoethylsulfanyl)but-3-en-2-amine
PubChem CID170009803
Molecular FormulaC10H23N3S3
Molecular Weight281.52 g/mol
Exact Mass281.11
IUPAC Name1-(3-aminobutan-2-yldisulfanyl)-3-(2-aminoethylsulfanyl)but-3-en-2-amine
SMILESC=C(SCCN)C(N)CSSC(C)C(C)N
InChIInChI=1S/C10H23N3S3/c1-7(12)8(2)16-15-6-10(13)9(3)14-5-4-11/h7-8,10H,3-6,11-13H2,1-2H3
InChIKeyWJXCTNLRRHATTQ-UHFFFAOYSA-N
XLogP1.64
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.52
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminobutan-2-yldisulfanyl)-3-(2-aminoethylsulfanyl)but-3-en-2-amine?
The IUPAC name of 1-(3-aminobutan-2-yldisulfanyl)-3-(2-aminoethylsulfanyl)but-3-en-2-amine (CID 170009803) is 1-(3-aminobutan-2-yldisulfanyl)-3-(2-aminoethylsulfanyl)but-3-en-2-amine.
What is the SMILES notation for 1-(3-aminobutan-2-yldisulfanyl)-3-(2-aminoethylsulfanyl)but-3-en-2-amine?
The canonical SMILES for 1-(3-aminobutan-2-yldisulfanyl)-3-(2-aminoethylsulfanyl)but-3-en-2-amine is C=C(SCCN)C(N)CSSC(C)C(C)N.
What is the InChIKey of 1-(3-aminobutan-2-yldisulfanyl)-3-(2-aminoethylsulfanyl)but-3-en-2-amine?
The InChIKey is WJXCTNLRRHATTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3S3/c1-7(12)8(2)16-15-6-10(13)9(3)14-5-4-11/h7-8,10H,3-6,11-13H2,1-2H3.
What are the key properties of 1-(3-aminobutan-2-yldisulfanyl)-3-(2-aminoethylsulfanyl)but-3-en-2-amine?
1-(3-aminobutan-2-yldisulfanyl)-3-(2-aminoethylsulfanyl)but-3-en-2-amine has a molecular weight of 281.52 g/mol, XLogP of 1.64, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminobutan-2-yldisulfanyl)-3-(2-aminoethylsulfanyl)but-3-en-2-amine is sourced from PubChem (CID 170009803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).