ethane;N-[2-[2-(ethynylamino)ethyldisulfanyl]ethyl]-6-hydrazinyl-6-oxohexanamide;hexanehydrazide

C22H48N6O3S2 — CID 143740361

IUPACethane;N-[2-[2-(ethynylamino)ethyldisulfanyl]ethyl]-6-hydrazinyl-6-oxohexanamide;hexanehydrazide
SMILESC#CNCCSSCCNC(=O)CCCCC(=O)NN.CC.CC.CCCCCC(=O)NN
InChIInChI=1S/C12H22N4O2S2.C6H14N2O.2C2H6/c1-2-14-7-9-19-20-10-8-15-11(17)5-3-4-6-12(18)16-13;1-2-3-4-5-6(9)8-7;2*1-2/h1,14H,3-10,13H2,(H,15,17)(H,16,18);2-5,7H2,1H3,(H,8,9);2*1-2H3
InChIKeyHWSGHNMNZJCTRE-UHFFFAOYSA-N
MW508.80 g/mol
LogP2.82
Rot. Bonds16

About ethane;N-[2-[2-(ethynylamino)ethyldisulfanyl]ethyl]-6-hydrazinyl-6-oxohexanamide;hexanehydrazide

ethane;N-[2-[2-(ethynylamino)ethyldisulfanyl]ethyl]-6-hydrazinyl-6-oxohexanamide;hexanehydrazide (PubChem CID 143740361) has the molecular formula C22H48N6O3S2 and a molecular weight of 508.80 g/mol. Its IUPAC name is ethane;N-[2-[2-(ethynylamino)ethyldisulfanyl]ethyl]-6-hydrazinyl-6-oxohexanamide;hexanehydrazide.

Molecular Properties

Compound Nameethane;N-[2-[2-(ethynylamino)ethyldisulfanyl]ethyl]-6-hydrazinyl-6-oxohexanamide;hexanehydrazide
PubChem CID143740361
Molecular FormulaC22H48N6O3S2
Molecular Weight508.80 g/mol
Exact Mass508.32
IUPAC Nameethane;N-[2-[2-(ethynylamino)ethyldisulfanyl]ethyl]-6-hydrazinyl-6-oxohexanamide;hexanehydrazide
SMILESC#CNCCSSCCNC(=O)CCCCC(=O)NN.CC.CC.CCCCCC(=O)NN
InChIInChI=1S/C12H22N4O2S2.C6H14N2O.2C2H6/c1-2-14-7-9-19-20-10-8-15-11(17)5-3-4-6-12(18)16-13;1-2-3-4-5-6(9)8-7;2*1-2/h1,14H,3-10,13H2,(H,15,17)(H,16,18);2-5,7H2,1H3,(H,8,9);2*1-2H3
InChIKeyHWSGHNMNZJCTRE-UHFFFAOYSA-N
XLogP2.82
TPSA151.37 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.80
LogP ≤ 52.82
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': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

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(5Z,8Z,11Z,14Z)-N-[2-[2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]ethyldisulfanyl]ethyl]icosa-5,8,11,14-tetraenamide
CID 87921177
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ethane;N-octylhexanamide
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N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
4-pentylsulfanylbutanehydrazide
CID 107760917
sodium;hydride;N-propyldodecanamide
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N-hexadecylhexanamide
CID 4953738

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[2-(ethynylamino)ethyldisulfanyl]ethyl]-6-hydrazinyl-6-oxohexanamide;hexanehydrazide?
The IUPAC name of ethane;N-[2-[2-(ethynylamino)ethyldisulfanyl]ethyl]-6-hydrazinyl-6-oxohexanamide;hexanehydrazide (CID 143740361) is ethane;N-[2-[2-(ethynylamino)ethyldisulfanyl]ethyl]-6-hydrazinyl-6-oxohexanamide;hexanehydrazide.
What is the SMILES notation for ethane;N-[2-[2-(ethynylamino)ethyldisulfanyl]ethyl]-6-hydrazinyl-6-oxohexanamide;hexanehydrazide?
The canonical SMILES for ethane;N-[2-[2-(ethynylamino)ethyldisulfanyl]ethyl]-6-hydrazinyl-6-oxohexanamide;hexanehydrazide is C#CNCCSSCCNC(=O)CCCCC(=O)NN.CC.CC.CCCCCC(=O)NN.
What is the InChIKey of ethane;N-[2-[2-(ethynylamino)ethyldisulfanyl]ethyl]-6-hydrazinyl-6-oxohexanamide;hexanehydrazide?
The InChIKey is HWSGHNMNZJCTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S2.C6H14N2O.2C2H6/c1-2-14-7-9-19-20-10-8-15-11(17)5-3-4-6-12(18)16-13;1-2-3-4-5-6(9)8-7;2*1-2/h1,14H,3-10,13H2,(H,15,17)(H,16,18);2-5,7H2,1H3,(H,8,9);2*1-2H3.
What are the key properties of ethane;N-[2-[2-(ethynylamino)ethyldisulfanyl]ethyl]-6-hydrazinyl-6-oxohexanamide;hexanehydrazide?
ethane;N-[2-[2-(ethynylamino)ethyldisulfanyl]ethyl]-6-hydrazinyl-6-oxohexanamide;hexanehydrazide has a molecular weight of 508.80 g/mol, XLogP of 2.82, 16 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[2-(ethynylamino)ethyldisulfanyl]ethyl]-6-hydrazinyl-6-oxohexanamide;hexanehydrazide is sourced from PubChem (CID 143740361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).