2-(prop-2-enyldisulfanyl)propanamide

C6H11NOS2 — CID 87643091

IUPAC2-(prop-2-enyldisulfanyl)propanamide
SMILESC=CCSSC(C)C(N)=O
InChIInChI=1S/C6H11NOS2/c1-3-4-9-10-5(2)6(7)8/h3,5H,1,4H2,2H3,(H2,7,8)
InChIKeyHFQCQNYHXONPED-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.43
Rot. Bonds5

About 2-(prop-2-enyldisulfanyl)propanamide

2-(prop-2-enyldisulfanyl)propanamide (PubChem CID 87643091) has the molecular formula C6H11NOS2 and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-(prop-2-enyldisulfanyl)propanamide.

Molecular Properties

Compound Name2-(prop-2-enyldisulfanyl)propanamide
PubChem CID87643091
Molecular FormulaC6H11NOS2
Molecular Weight177.29 g/mol
Exact Mass177.03
IUPAC Name2-(prop-2-enyldisulfanyl)propanamide
SMILESC=CCSSC(C)C(N)=O
InChIInChI=1S/C6H11NOS2/c1-3-4-9-10-5(2)6(7)8/h3,5H,1,4H2,2H3,(H2,7,8)
InChIKeyHFQCQNYHXONPED-UHFFFAOYSA-N
XLogP1.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1,2-bis(prop-2-enyldisulfanyl)propane
CID 14223530
3-prop-2-enylsulfanylprop-1-ene;urea
CID 174462951
2-[bis(prop-2-enyl)amino]propanamide
CID 82040435
3-(hydroxymethyl)-2-methylpent-4-enamide
CID 175989379
2-propan-2-ylsulfanylpropanamide
CID 59881908
pent-4-en-2-ol;urea
CID 88650571
but-1-ene;urea
CID 87757370
2-(1-hydroxypropan-2-ylsulfanyl)propanamide
CID 115659409
N,N'-bis(prop-2-enyldisulfanyl)oxamide
CID 21150695
prop-2-enyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate
CID 22826694
(2S)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 7797762
2-acetamido-3-(prop-2-enyldisulfanyl)propanoic acid
CID 25124818

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enyldisulfanyl)propanamide?
The IUPAC name of 2-(prop-2-enyldisulfanyl)propanamide (CID 87643091) is 2-(prop-2-enyldisulfanyl)propanamide.
What is the SMILES notation for 2-(prop-2-enyldisulfanyl)propanamide?
The canonical SMILES for 2-(prop-2-enyldisulfanyl)propanamide is C=CCSSC(C)C(N)=O.
What is the InChIKey of 2-(prop-2-enyldisulfanyl)propanamide?
The InChIKey is HFQCQNYHXONPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS2/c1-3-4-9-10-5(2)6(7)8/h3,5H,1,4H2,2H3,(H2,7,8).
What are the key properties of 2-(prop-2-enyldisulfanyl)propanamide?
2-(prop-2-enyldisulfanyl)propanamide has a molecular weight of 177.29 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enyldisulfanyl)propanamide is sourced from PubChem (CID 87643091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).