3-(methylaminodisulfanyl)propanamide

C4H10N2OS2 — CID 138457429

IUPAC3-(methylaminodisulfanyl)propanamide
SMILESCNSSCCC(N)=O
InChIInChI=1S/C4H10N2OS2/c1-6-9-8-3-2-4(5)7/h6H,2-3H2,1H3,(H2,5,7)
InChIKeyOHRIJTOOUVNBAC-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.38
Rot. Bonds5

About 3-(methylaminodisulfanyl)propanamide

3-(methylaminodisulfanyl)propanamide (PubChem CID 138457429) has the molecular formula C4H10N2OS2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-(methylaminodisulfanyl)propanamide.

Molecular Properties

Compound Name3-(methylaminodisulfanyl)propanamide
PubChem CID138457429
Molecular FormulaC4H10N2OS2
Molecular Weight166.27 g/mol
Exact Mass166.02
IUPAC Name3-(methylaminodisulfanyl)propanamide
SMILESCNSSCCC(N)=O
InChIInChI=1S/C4H10N2OS2/c1-6-9-8-3-2-4(5)7/h6H,2-3H2,1H3,(H2,5,7)
InChIKeyOHRIJTOOUVNBAC-UHFFFAOYSA-N
XLogP0.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.38
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': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3-amino-3-oxopropyl) thiohypofluorite;ethane
CID 142920454
3-[[3-[(2E)-2-ethylidenehydrazinyl]-3-oxopropyl]disulfanyl]propanamide
CID 155582380
butanediamide;ethane;molecular hydrogen
CID 144732954
3-tert-butylsulfanylpropanamide
CID 21060365
4-(methyldisulfanyl)butanamide
CID 163680091
3-(acetamidomethylsulfanyl)propanamide
CID 57428043
CID 158833027
CID 158833027
CID 145098123
CID 145098123
bis(butanediamide);sulfur dioxide
CID 175182532
butanediamide;molybdenum
CID 161333962
butanediamide;hydrobromide
CID 158484059
3-(2-amino-2-methylpropyl)sulfanylpropanamide
CID 66229715

Frequently Asked Questions

What is the IUPAC name of 3-(methylaminodisulfanyl)propanamide?
The IUPAC name of 3-(methylaminodisulfanyl)propanamide (CID 138457429) is 3-(methylaminodisulfanyl)propanamide.
What is the SMILES notation for 3-(methylaminodisulfanyl)propanamide?
The canonical SMILES for 3-(methylaminodisulfanyl)propanamide is CNSSCCC(N)=O.
What is the InChIKey of 3-(methylaminodisulfanyl)propanamide?
The InChIKey is OHRIJTOOUVNBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2OS2/c1-6-9-8-3-2-4(5)7/h6H,2-3H2,1H3,(H2,5,7).
What are the key properties of 3-(methylaminodisulfanyl)propanamide?
3-(methylaminodisulfanyl)propanamide has a molecular weight of 166.27 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminodisulfanyl)propanamide is sourced from PubChem (CID 138457429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).