N',N'-bis(2-sulfanylethyl)oxamide

C6H12N2O2S2 — CID 53437206

IUPACN',N'-bis(2-sulfanylethyl)oxamide
SMILESNC(=O)C(=O)N(CCS)CCS
InChIInChI=1S/C6H12N2O2S2/c7-5(9)6(10)8(1-3-11)2-4-12/h11-12H,1-4H2,(H2,7,9)
InChIKeyINUVTFQYZIWWQB-UHFFFAOYSA-N
MW208.31 g/mol
LogP-0.84
Rot. Bonds4

About N',N'-bis(2-sulfanylethyl)oxamide

N',N'-bis(2-sulfanylethyl)oxamide (PubChem CID 53437206) has the molecular formula C6H12N2O2S2 and a molecular weight of 208.31 g/mol. Its IUPAC name is N',N'-bis(2-sulfanylethyl)oxamide.

Molecular Properties

Compound NameN',N'-bis(2-sulfanylethyl)oxamide
PubChem CID53437206
Molecular FormulaC6H12N2O2S2
Molecular Weight208.31 g/mol
Exact Mass208.03
IUPAC NameN',N'-bis(2-sulfanylethyl)oxamide
SMILESNC(=O)C(=O)N(CCS)CCS
InChIInChI=1S/C6H12N2O2S2/c7-5(9)6(10)8(1-3-11)2-4-12/h11-12H,1-4H2,(H2,7,9)
InChIKeyINUVTFQYZIWWQB-UHFFFAOYSA-N
XLogP-0.84
TPSA63.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-sulfanylethyl)oxamide?
The IUPAC name of N',N'-bis(2-sulfanylethyl)oxamide (CID 53437206) is N',N'-bis(2-sulfanylethyl)oxamide.
What is the SMILES notation for N',N'-bis(2-sulfanylethyl)oxamide?
The canonical SMILES for N',N'-bis(2-sulfanylethyl)oxamide is NC(=O)C(=O)N(CCS)CCS.
What is the InChIKey of N',N'-bis(2-sulfanylethyl)oxamide?
The InChIKey is INUVTFQYZIWWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S2/c7-5(9)6(10)8(1-3-11)2-4-12/h11-12H,1-4H2,(H2,7,9).
What are the key properties of N',N'-bis(2-sulfanylethyl)oxamide?
N',N'-bis(2-sulfanylethyl)oxamide has a molecular weight of 208.31 g/mol, XLogP of -0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-sulfanylethyl)oxamide is sourced from PubChem (CID 53437206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).