2-amino-3-prop-2-enylsulfanylpropanoic acid;2-amino-3-prop-2-enylsulfinylpropanoic acid;bis(prop-2-enyl)tin;3-prop-2-enylsulfinylsulfanylprop-1-ene

C24H42N2O6S4Sn — CID 157498560

IUPAC2-amino-3-prop-2-enylsulfanylpropanoic acid;2-amino-3-prop-2-enylsulfinylpropanoic acid;bis(prop-2-enyl)tin;3-prop-2-enylsulfinylsulfanylprop-1-ene
SMILESC=CCS(=O)CC(N)C(=O)O.C=CCSCC(N)C(=O)O.C=CCSS(=O)CC=C.C=CC[Sn]CC=C
InChIInChI=1S/C6H11NO3S.C6H11NO2S.C6H10OS2.2C3H5.Sn/c1-2-3-11(10)4-5(7)6(8)9;1-2-3-10-4-5(7)6(8)9;1-3-5-8-9(7)6-4-2;2*1-3-2;/h2,5H,1,3-4,7H2,(H,8,9);2,5H,1,3-4,7H2,(H,8,9);3-4H,1-2,5-6H2;2*3H,1-2H2;
InChIKeyBYCZAGFEQNDZOI-UHFFFAOYSA-N
MW701.59 g/mol
LogP3.31
Rot. Bonds19

About 2-amino-3-prop-2-enylsulfanylpropanoic acid;2-amino-3-prop-2-enylsulfinylpropanoic acid;bis(prop-2-enyl)tin;3-prop-2-enylsulfinylsulfanylprop-1-ene

2-amino-3-prop-2-enylsulfanylpropanoic acid;2-amino-3-prop-2-enylsulfinylpropanoic acid;bis(prop-2-enyl)tin;3-prop-2-enylsulfinylsulfanylprop-1-ene (PubChem CID 157498560) has the molecular formula C24H42N2O6S4Sn and a molecular weight of 701.59 g/mol. Its IUPAC name is 2-amino-3-prop-2-enylsulfanylpropanoic acid;2-amino-3-prop-2-enylsulfinylpropanoic acid;bis(prop-2-enyl)tin;3-prop-2-enylsulfinylsulfanylprop-1-ene.

Molecular Properties

Compound Name2-amino-3-prop-2-enylsulfanylpropanoic acid;2-amino-3-prop-2-enylsulfinylpropanoic acid;bis(prop-2-enyl)tin;3-prop-2-enylsulfinylsulfanylprop-1-ene
PubChem CID157498560
Molecular FormulaC24H42N2O6S4Sn
Molecular Weight701.59 g/mol
Exact Mass702.09
IUPAC Name2-amino-3-prop-2-enylsulfanylpropanoic acid;2-amino-3-prop-2-enylsulfinylpropanoic acid;bis(prop-2-enyl)tin;3-prop-2-enylsulfinylsulfanylprop-1-ene
SMILESC=CCS(=O)CC(N)C(=O)O.C=CCSCC(N)C(=O)O.C=CCSS(=O)CC=C.C=CC[Sn]CC=C
InChIInChI=1S/C6H11NO3S.C6H11NO2S.C6H10OS2.2C3H5.Sn/c1-2-3-11(10)4-5(7)6(8)9;1-2-3-10-4-5(7)6(8)9;1-3-5-8-9(7)6-4-2;2*1-3-2;/h2,5H,1,3-4,7H2,(H,8,9);2,5H,1,3-4,7H2,(H,8,9);3-4H,1-2,5-6H2;2*3H,1-2H2;
InChIKeyBYCZAGFEQNDZOI-UHFFFAOYSA-N
XLogP3.31
TPSA160.78 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500701.59
LogP ≤ 53.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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'}

Analyze 2-amino-3-prop-2-enylsulfanylpropanoic acid;2-amino-3-prop-2-enylsulfinylpropanoic acid;bis(prop-2-enyl)tin;3-prop-2-enylsulfinylsulfanylprop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-3-but-3-enylsulfinylpropanoic acid
CID 132934359
(2R)-2-amino-3-(3-oxoprop-2-enylsulfanyl)propanoic acid
CID 90426399
(2S)-2-amino-5-[[(1R)-1-carboxy-2-[(R)-prop-2-enylsulfinyl]ethyl]amino]-5-oxopentanoic acid
CID 162946192
2-amino-5-[(1-carboxy-2-prop-2-enylsulfanylethyl)amino]-5-oxopentanoic acid
CID 11193907
(2R)-3-prop-2-enylsulfanyl-2-(sulfanylamino)propanoic acid
CID 20657680
2-amino-3-(3-hydroxypropylsulfinyl)propanoic acid
CID 74324894
2-amino-3-(2-hydroxyethylsulfinyl)propanoic acid
CID 74324904
2-amino-3-prop-2-enoylsulfanylpropanoic acid
CID 135281345
2-amino-3-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43385296
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;bis(prop-2-enamide)
CID 87270826
2-amino-3-[(Z)-prop-1-enyl]sulfinylpropanoic acid
CID 6122729
(2R)-2-amino-3-(2-boronoethylsulfanyl)propanoic acid;hydrochloride
CID 91826515

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-prop-2-enylsulfanylpropanoic acid;2-amino-3-prop-2-enylsulfinylpropanoic acid;bis(prop-2-enyl)tin;3-prop-2-enylsulfinylsulfanylprop-1-ene?
The IUPAC name of 2-amino-3-prop-2-enylsulfanylpropanoic acid;2-amino-3-prop-2-enylsulfinylpropanoic acid;bis(prop-2-enyl)tin;3-prop-2-enylsulfinylsulfanylprop-1-ene (CID 157498560) is 2-amino-3-prop-2-enylsulfanylpropanoic acid;2-amino-3-prop-2-enylsulfinylpropanoic acid;bis(prop-2-enyl)tin;3-prop-2-enylsulfinylsulfanylprop-1-ene.
What is the SMILES notation for 2-amino-3-prop-2-enylsulfanylpropanoic acid;2-amino-3-prop-2-enylsulfinylpropanoic acid;bis(prop-2-enyl)tin;3-prop-2-enylsulfinylsulfanylprop-1-ene?
The canonical SMILES for 2-amino-3-prop-2-enylsulfanylpropanoic acid;2-amino-3-prop-2-enylsulfinylpropanoic acid;bis(prop-2-enyl)tin;3-prop-2-enylsulfinylsulfanylprop-1-ene is C=CCS(=O)CC(N)C(=O)O.C=CCSCC(N)C(=O)O.C=CCSS(=O)CC=C.C=CC[Sn]CC=C.
What is the InChIKey of 2-amino-3-prop-2-enylsulfanylpropanoic acid;2-amino-3-prop-2-enylsulfinylpropanoic acid;bis(prop-2-enyl)tin;3-prop-2-enylsulfinylsulfanylprop-1-ene?
The InChIKey is BYCZAGFEQNDZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3S.C6H11NO2S.C6H10OS2.2C3H5.Sn/c1-2-3-11(10)4-5(7)6(8)9;1-2-3-10-4-5(7)6(8)9;1-3-5-8-9(7)6-4-2;2*1-3-2;/h2,5H,1,3-4,7H2,(H,8,9);2,5H,1,3-4,7H2,(H,8,9);3-4H,1-2,5-6H2;2*3H,1-2H2;.
What are the key properties of 2-amino-3-prop-2-enylsulfanylpropanoic acid;2-amino-3-prop-2-enylsulfinylpropanoic acid;bis(prop-2-enyl)tin;3-prop-2-enylsulfinylsulfanylprop-1-ene?
2-amino-3-prop-2-enylsulfanylpropanoic acid;2-amino-3-prop-2-enylsulfinylpropanoic acid;bis(prop-2-enyl)tin;3-prop-2-enylsulfinylsulfanylprop-1-ene has a molecular weight of 701.59 g/mol, XLogP of 3.31, 19 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-prop-2-enylsulfanylpropanoic acid;2-amino-3-prop-2-enylsulfinylpropanoic acid;bis(prop-2-enyl)tin;3-prop-2-enylsulfinylsulfanylprop-1-ene is sourced from PubChem (CID 157498560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).