2-(dimethylamino)-N-[2-[2-[[2-(dimethylamino)acetyl]amino]ethyldisulfanyl]ethyl]acetamide

C12H26N4O2S2 — CID 23187652

IUPAC2-(dimethylamino)-N-[2-[2-[[2-(dimethylamino)acetyl]amino]ethyldisulfanyl]ethyl]acetamide
SMILESCN(C)CC(=O)NCCSSCCNC(=O)CN(C)C
InChIInChI=1S/C12H26N4O2S2/c1-15(2)9-11(17)13-5-7-19-20-8-6-14-12(18)10-16(3)4/h5-10H2,1-4H3,(H,13,17)(H,14,18)
InChIKeySKGLZMIFZKEIJJ-UHFFFAOYSA-N
MW322.50 g/mol
LogP-0.28
Rot. Bonds11

About 2-(dimethylamino)-N-[2-[2-[[2-(dimethylamino)acetyl]amino]ethyldisulfanyl]ethyl]acetamide

2-(dimethylamino)-N-[2-[2-[[2-(dimethylamino)acetyl]amino]ethyldisulfanyl]ethyl]acetamide (PubChem CID 23187652) has the molecular formula C12H26N4O2S2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[2-[2-[[2-(dimethylamino)acetyl]amino]ethyldisulfanyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[2-[2-[[2-(dimethylamino)acetyl]amino]ethyldisulfanyl]ethyl]acetamide
PubChem CID23187652
Molecular FormulaC12H26N4O2S2
Molecular Weight322.50 g/mol
Exact Mass322.15
IUPAC Name2-(dimethylamino)-N-[2-[2-[[2-(dimethylamino)acetyl]amino]ethyldisulfanyl]ethyl]acetamide
SMILESCN(C)CC(=O)NCCSSCCNC(=O)CN(C)C
InChIInChI=1S/C12H26N4O2S2/c1-15(2)9-11(17)13-5-7-19-20-8-6-14-12(18)10-16(3)4/h5-10H2,1-4H3,(H,13,17)(H,14,18)
InChIKeySKGLZMIFZKEIJJ-UHFFFAOYSA-N
XLogP-0.28
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-(dimethylamino)-N-[2-[2-[[2-(dimethylamino)acetyl]amino]ethyldisulfanyl]ethyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[2-[2-[[2-(dimethylamino)acetyl]amino]ethyldisulfanyl]ethyl]acetamide (CID 23187652) is 2-(dimethylamino)-N-[2-[2-[[2-(dimethylamino)acetyl]amino]ethyldisulfanyl]ethyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[2-[2-[[2-(dimethylamino)acetyl]amino]ethyldisulfanyl]ethyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[2-[2-[[2-(dimethylamino)acetyl]amino]ethyldisulfanyl]ethyl]acetamide is CN(C)CC(=O)NCCSSCCNC(=O)CN(C)C.
What is the InChIKey of 2-(dimethylamino)-N-[2-[2-[[2-(dimethylamino)acetyl]amino]ethyldisulfanyl]ethyl]acetamide?
The InChIKey is SKGLZMIFZKEIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2S2/c1-15(2)9-11(17)13-5-7-19-20-8-6-14-12(18)10-16(3)4/h5-10H2,1-4H3,(H,13,17)(H,14,18).
What are the key properties of 2-(dimethylamino)-N-[2-[2-[[2-(dimethylamino)acetyl]amino]ethyldisulfanyl]ethyl]acetamide?
2-(dimethylamino)-N-[2-[2-[[2-(dimethylamino)acetyl]amino]ethyldisulfanyl]ethyl]acetamide has a molecular weight of 322.50 g/mol, XLogP of -0.28, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[2-[2-[[2-(dimethylamino)acetyl]amino]ethyldisulfanyl]ethyl]acetamide is sourced from PubChem (CID 23187652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).