N-(3-hydrazinyl-3-oxopropyl)-4-[[4-[(3-hydrazinyl-3-oxopropyl)amino]-4-oxobutyl]disulfanyl]butanamide

C14H28N6O4S2 — CID 59364570

IUPACN-(3-hydrazinyl-3-oxopropyl)-4-[[4-[(3-hydrazinyl-3-oxopropyl)amino]-4-oxobutyl]disulfanyl]butanamide
SMILESNNC(=O)CCNC(=O)CCCSSCCCC(=O)NCCC(=O)NN
InChIInChI=1S/C14H28N6O4S2/c15-19-13(23)5-7-17-11(21)3-1-9-25-26-10-2-4-12(22)18-8-6-14(24)20-16/h1-10,15-16H2,(H,17,21)(H,18,22)(H,19,23)(H,20,24)
InChIKeyRINIXXZVVAIXQC-UHFFFAOYSA-N
MW408.55 g/mol
LogP-1.08
Rot. Bonds15

About N-(3-hydrazinyl-3-oxopropyl)-4-[[4-[(3-hydrazinyl-3-oxopropyl)amino]-4-oxobutyl]disulfanyl]butanamide

N-(3-hydrazinyl-3-oxopropyl)-4-[[4-[(3-hydrazinyl-3-oxopropyl)amino]-4-oxobutyl]disulfanyl]butanamide (PubChem CID 59364570) has the molecular formula C14H28N6O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-(3-hydrazinyl-3-oxopropyl)-4-[[4-[(3-hydrazinyl-3-oxopropyl)amino]-4-oxobutyl]disulfanyl]butanamide.

Molecular Properties

Compound NameN-(3-hydrazinyl-3-oxopropyl)-4-[[4-[(3-hydrazinyl-3-oxopropyl)amino]-4-oxobutyl]disulfanyl]butanamide
PubChem CID59364570
Molecular FormulaC14H28N6O4S2
Molecular Weight408.55 g/mol
Exact Mass408.16
IUPAC NameN-(3-hydrazinyl-3-oxopropyl)-4-[[4-[(3-hydrazinyl-3-oxopropyl)amino]-4-oxobutyl]disulfanyl]butanamide
SMILESNNC(=O)CCNC(=O)CCCSSCCCC(=O)NCCC(=O)NN
InChIInChI=1S/C14H28N6O4S2/c15-19-13(23)5-7-17-11(21)3-1-9-25-26-10-2-4-12(22)18-8-6-14(24)20-16/h1-10,15-16H2,(H,17,21)(H,18,22)(H,19,23)(H,20,24)
InChIKeyRINIXXZVVAIXQC-UHFFFAOYSA-N
XLogP-1.08
TPSA168.44 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.55
LogP ≤ 5-1.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydrazinyl-3-oxopropyl)-4-[[4-[(3-hydrazinyl-3-oxopropyl)amino]-4-oxobutyl]disulfanyl]butanamide?
The IUPAC name of N-(3-hydrazinyl-3-oxopropyl)-4-[[4-[(3-hydrazinyl-3-oxopropyl)amino]-4-oxobutyl]disulfanyl]butanamide (CID 59364570) is N-(3-hydrazinyl-3-oxopropyl)-4-[[4-[(3-hydrazinyl-3-oxopropyl)amino]-4-oxobutyl]disulfanyl]butanamide.
What is the SMILES notation for N-(3-hydrazinyl-3-oxopropyl)-4-[[4-[(3-hydrazinyl-3-oxopropyl)amino]-4-oxobutyl]disulfanyl]butanamide?
The canonical SMILES for N-(3-hydrazinyl-3-oxopropyl)-4-[[4-[(3-hydrazinyl-3-oxopropyl)amino]-4-oxobutyl]disulfanyl]butanamide is NNC(=O)CCNC(=O)CCCSSCCCC(=O)NCCC(=O)NN.
What is the InChIKey of N-(3-hydrazinyl-3-oxopropyl)-4-[[4-[(3-hydrazinyl-3-oxopropyl)amino]-4-oxobutyl]disulfanyl]butanamide?
The InChIKey is RINIXXZVVAIXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6O4S2/c15-19-13(23)5-7-17-11(21)3-1-9-25-26-10-2-4-12(22)18-8-6-14(24)20-16/h1-10,15-16H2,(H,17,21)(H,18,22)(H,19,23)(H,20,24).
What are the key properties of N-(3-hydrazinyl-3-oxopropyl)-4-[[4-[(3-hydrazinyl-3-oxopropyl)amino]-4-oxobutyl]disulfanyl]butanamide?
N-(3-hydrazinyl-3-oxopropyl)-4-[[4-[(3-hydrazinyl-3-oxopropyl)amino]-4-oxobutyl]disulfanyl]butanamide has a molecular weight of 408.55 g/mol, XLogP of -1.08, 15 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydrazinyl-3-oxopropyl)-4-[[4-[(3-hydrazinyl-3-oxopropyl)amino]-4-oxobutyl]disulfanyl]butanamide is sourced from PubChem (CID 59364570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).