N-(2-sulfanylethyl)-N-[2-(2-sulfanylethylamino)ethyl]acetamide

C8H18N2OS2 — CID 58960459

IUPACN-(2-sulfanylethyl)-N-[2-(2-sulfanylethylamino)ethyl]acetamide
SMILESCC(=O)N(CCS)CCNCCS
InChIInChI=1S/C8H18N2OS2/c1-8(11)10(5-7-13)4-2-9-3-6-12/h9,12-13H,2-7H2,1H3
InChIKeyOZSUSCPBERDFQY-UHFFFAOYSA-N
MW222.38 g/mol
LogP0.28
Rot. Bonds7

About N-(2-sulfanylethyl)-N-[2-(2-sulfanylethylamino)ethyl]acetamide

N-(2-sulfanylethyl)-N-[2-(2-sulfanylethylamino)ethyl]acetamide (PubChem CID 58960459) has the molecular formula C8H18N2OS2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-(2-sulfanylethyl)-N-[2-(2-sulfanylethylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(2-sulfanylethyl)-N-[2-(2-sulfanylethylamino)ethyl]acetamide
PubChem CID58960459
Molecular FormulaC8H18N2OS2
Molecular Weight222.38 g/mol
Exact Mass222.09
IUPAC NameN-(2-sulfanylethyl)-N-[2-(2-sulfanylethylamino)ethyl]acetamide
SMILESCC(=O)N(CCS)CCNCCS
InChIInChI=1S/C8H18N2OS2/c1-8(11)10(5-7-13)4-2-9-3-6-12/h9,12-13H,2-7H2,1H3
InChIKeyOZSUSCPBERDFQY-UHFFFAOYSA-N
XLogP0.28
TPSA32.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-sulfanylethyl)-N-[2-(2-sulfanylethylamino)ethyl]acetamide?
The IUPAC name of N-(2-sulfanylethyl)-N-[2-(2-sulfanylethylamino)ethyl]acetamide (CID 58960459) is N-(2-sulfanylethyl)-N-[2-(2-sulfanylethylamino)ethyl]acetamide.
What is the SMILES notation for N-(2-sulfanylethyl)-N-[2-(2-sulfanylethylamino)ethyl]acetamide?
The canonical SMILES for N-(2-sulfanylethyl)-N-[2-(2-sulfanylethylamino)ethyl]acetamide is CC(=O)N(CCS)CCNCCS.
What is the InChIKey of N-(2-sulfanylethyl)-N-[2-(2-sulfanylethylamino)ethyl]acetamide?
The InChIKey is OZSUSCPBERDFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS2/c1-8(11)10(5-7-13)4-2-9-3-6-12/h9,12-13H,2-7H2,1H3.
What are the key properties of N-(2-sulfanylethyl)-N-[2-(2-sulfanylethylamino)ethyl]acetamide?
N-(2-sulfanylethyl)-N-[2-(2-sulfanylethylamino)ethyl]acetamide has a molecular weight of 222.38 g/mol, XLogP of 0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfanylethyl)-N-[2-(2-sulfanylethylamino)ethyl]acetamide is sourced from PubChem (CID 58960459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).