N-(1,3-dihydrazinyl-1,3-dioxopropan-2-yl)-3-[[3-[(1,3-dihydrazinyl-1,3-dioxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide

C12H24N10O6S2 — CID 87145279

IUPACN-(1,3-dihydrazinyl-1,3-dioxopropan-2-yl)-3-[[3-[(1,3-dihydrazinyl-1,3-dioxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide
SMILESNNC(=O)C(NC(=O)CCSSCCC(=O)NC(C(=O)NN)C(=O)NN)C(=O)NN
InChIInChI=1S/C12H24N10O6S2/c13-19-9(25)7(10(26)20-14)17-5(23)1-3-29-30-4-2-6(24)18-8(11(27)21-15)12(28)22-16/h7-8H,1-4,13-16H2,(H,17,23)(H,18,24)(H,19,25)(H,20,26)(H,21,27)(H,22,28)
InChIKeyNCCFYSDJGDNAHW-UHFFFAOYSA-N
MW468.52 g/mol
LogP-5.92
Rot. Bonds13

About N-(1,3-dihydrazinyl-1,3-dioxopropan-2-yl)-3-[[3-[(1,3-dihydrazinyl-1,3-dioxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide

N-(1,3-dihydrazinyl-1,3-dioxopropan-2-yl)-3-[[3-[(1,3-dihydrazinyl-1,3-dioxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide (PubChem CID 87145279) has the molecular formula C12H24N10O6S2 and a molecular weight of 468.52 g/mol. Its IUPAC name is N-(1,3-dihydrazinyl-1,3-dioxopropan-2-yl)-3-[[3-[(1,3-dihydrazinyl-1,3-dioxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide.

Molecular Properties

Compound NameN-(1,3-dihydrazinyl-1,3-dioxopropan-2-yl)-3-[[3-[(1,3-dihydrazinyl-1,3-dioxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide
PubChem CID87145279
Molecular FormulaC12H24N10O6S2
Molecular Weight468.52 g/mol
Exact Mass468.13
IUPAC NameN-(1,3-dihydrazinyl-1,3-dioxopropan-2-yl)-3-[[3-[(1,3-dihydrazinyl-1,3-dioxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide
SMILESNNC(=O)C(NC(=O)CCSSCCC(=O)NC(C(=O)NN)C(=O)NN)C(=O)NN
InChIInChI=1S/C12H24N10O6S2/c13-19-9(25)7(10(26)20-14)17-5(23)1-3-29-30-4-2-6(24)18-8(11(27)21-15)12(28)22-16/h7-8H,1-4,13-16H2,(H,17,23)(H,18,24)(H,19,25)(H,20,26)(H,21,27)(H,22,28)
InChIKeyNCCFYSDJGDNAHW-UHFFFAOYSA-N
XLogP-5.92
TPSA278.68 Ų
H-Bond Donors10
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500468.52
LogP ≤ 5-5.92
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydrazinyl-1,3-dioxopropan-2-yl)-3-[[3-[(1,3-dihydrazinyl-1,3-dioxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide?
The IUPAC name of N-(1,3-dihydrazinyl-1,3-dioxopropan-2-yl)-3-[[3-[(1,3-dihydrazinyl-1,3-dioxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide (CID 87145279) is N-(1,3-dihydrazinyl-1,3-dioxopropan-2-yl)-3-[[3-[(1,3-dihydrazinyl-1,3-dioxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide.
What is the SMILES notation for N-(1,3-dihydrazinyl-1,3-dioxopropan-2-yl)-3-[[3-[(1,3-dihydrazinyl-1,3-dioxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide?
The canonical SMILES for N-(1,3-dihydrazinyl-1,3-dioxopropan-2-yl)-3-[[3-[(1,3-dihydrazinyl-1,3-dioxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide is NNC(=O)C(NC(=O)CCSSCCC(=O)NC(C(=O)NN)C(=O)NN)C(=O)NN.
What is the InChIKey of N-(1,3-dihydrazinyl-1,3-dioxopropan-2-yl)-3-[[3-[(1,3-dihydrazinyl-1,3-dioxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide?
The InChIKey is NCCFYSDJGDNAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N10O6S2/c13-19-9(25)7(10(26)20-14)17-5(23)1-3-29-30-4-2-6(24)18-8(11(27)21-15)12(28)22-16/h7-8H,1-4,13-16H2,(H,17,23)(H,18,24)(H,19,25)(H,20,26)(H,21,27)(H,22,28).
What are the key properties of N-(1,3-dihydrazinyl-1,3-dioxopropan-2-yl)-3-[[3-[(1,3-dihydrazinyl-1,3-dioxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide?
N-(1,3-dihydrazinyl-1,3-dioxopropan-2-yl)-3-[[3-[(1,3-dihydrazinyl-1,3-dioxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide has a molecular weight of 468.52 g/mol, XLogP of -5.92, 13 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydrazinyl-1,3-dioxopropan-2-yl)-3-[[3-[(1,3-dihydrazinyl-1,3-dioxopropan-2-yl)amino]-3-oxopropyl]disulfanyl]propanamide is sourced from PubChem (CID 87145279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).