3-[[3-(dipropylamino)-3-oxopropyl]disulfanyl]propanamide

C12H24N2O2S2 — CID 57230276

IUPAC3-[[3-(dipropylamino)-3-oxopropyl]disulfanyl]propanamide
SMILESCCCN(CCC)C(=O)CCSSCCC(N)=O
InChIInChI=1S/C12H24N2O2S2/c1-3-7-14(8-4-2)12(16)6-10-18-17-9-5-11(13)15/h3-10H2,1-2H3,(H2,13,15)
InChIKeyFPJXWUZXMTUYHA-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.28
Rot. Bonds11

About 3-[[3-(dipropylamino)-3-oxopropyl]disulfanyl]propanamide

3-[[3-(dipropylamino)-3-oxopropyl]disulfanyl]propanamide (PubChem CID 57230276) has the molecular formula C12H24N2O2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is 3-[[3-(dipropylamino)-3-oxopropyl]disulfanyl]propanamide.

Molecular Properties

Compound Name3-[[3-(dipropylamino)-3-oxopropyl]disulfanyl]propanamide
PubChem CID57230276
Molecular FormulaC12H24N2O2S2
Molecular Weight292.47 g/mol
Exact Mass292.13
IUPAC Name3-[[3-(dipropylamino)-3-oxopropyl]disulfanyl]propanamide
SMILESCCCN(CCC)C(=O)CCSSCCC(N)=O
InChIInChI=1S/C12H24N2O2S2/c1-3-7-14(8-4-2)12(16)6-10-18-17-9-5-11(13)15/h3-10H2,1-2H3,(H2,13,15)
InChIKeyFPJXWUZXMTUYHA-UHFFFAOYSA-N
XLogP2.28
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(dipropylamino)-3-oxopropyl]disulfanyl]propanamide?
The IUPAC name of 3-[[3-(dipropylamino)-3-oxopropyl]disulfanyl]propanamide (CID 57230276) is 3-[[3-(dipropylamino)-3-oxopropyl]disulfanyl]propanamide.
What is the SMILES notation for 3-[[3-(dipropylamino)-3-oxopropyl]disulfanyl]propanamide?
The canonical SMILES for 3-[[3-(dipropylamino)-3-oxopropyl]disulfanyl]propanamide is CCCN(CCC)C(=O)CCSSCCC(N)=O.
What is the InChIKey of 3-[[3-(dipropylamino)-3-oxopropyl]disulfanyl]propanamide?
The InChIKey is FPJXWUZXMTUYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S2/c1-3-7-14(8-4-2)12(16)6-10-18-17-9-5-11(13)15/h3-10H2,1-2H3,(H2,13,15).
What are the key properties of 3-[[3-(dipropylamino)-3-oxopropyl]disulfanyl]propanamide?
3-[[3-(dipropylamino)-3-oxopropyl]disulfanyl]propanamide has a molecular weight of 292.47 g/mol, XLogP of 2.28, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(dipropylamino)-3-oxopropyl]disulfanyl]propanamide is sourced from PubChem (CID 57230276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).