2-sulfanyl-N-[[(2-sulfanylacetyl)amino]methyl]acetamide

C5H10N2O2S2 — CID 22942530

IUPAC2-sulfanyl-N-[[(2-sulfanylacetyl)amino]methyl]acetamide
SMILESO=C(CS)NCNC(=O)CS
InChIInChI=1S/C5H10N2O2S2/c8-4(1-10)6-3-7-5(9)2-11/h10-11H,1-3H2,(H,6,8)(H,7,9)
InChIKeyWLKYFYWDZLZFNI-UHFFFAOYSA-N
MW194.28 g/mol
LogP-0.96
Rot. Bonds4

About 2-sulfanyl-N-[[(2-sulfanylacetyl)amino]methyl]acetamide

2-sulfanyl-N-[[(2-sulfanylacetyl)amino]methyl]acetamide (PubChem CID 22942530) has the molecular formula C5H10N2O2S2 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-sulfanyl-N-[[(2-sulfanylacetyl)amino]methyl]acetamide.

Molecular Properties

Compound Name2-sulfanyl-N-[[(2-sulfanylacetyl)amino]methyl]acetamide
PubChem CID22942530
Molecular FormulaC5H10N2O2S2
Molecular Weight194.28 g/mol
Exact Mass194.02
IUPAC Name2-sulfanyl-N-[[(2-sulfanylacetyl)amino]methyl]acetamide
SMILESO=C(CS)NCNC(=O)CS
InChIInChI=1S/C5H10N2O2S2/c8-4(1-10)6-3-7-5(9)2-11/h10-11H,1-3H2,(H,6,8)(H,7,9)
InChIKeyWLKYFYWDZLZFNI-UHFFFAOYSA-N
XLogP-0.96
TPSA58.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-2-sulfanylacetamide
CID 14480079
S-[[(2-sulfanylacetyl)amino]methyl] ethanethioate
CID 12562714
bis(2-aminoacetic acid);2-[(2-sulfanylacetyl)amino]acetic acid
CID 22493014
[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]carbamic acid
CID 118982081
N-butyl-2-sulfanylacetamide;propane
CID 153354639
oxygen(2-);2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetate;technetium-99
CID 76963456
methyl 3-[(2-sulfanylacetyl)amino]propanoate
CID 87900240
N-(3-aminopropyl)-2-sulfanylacetamide;ethane
CID 143545848
N-[2-(dimethylcarbamoylamino)ethyl]-2-sulfanylacetamide
CID 83117465
2-[1-[[(2-sulfanylacetyl)amino]methyl]cyclohexyl]acetic acid
CID 90392290
2-sulfanyl-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 106295758
N-[(4-hydroxycyclohexyl)methyl]-2-sulfanylacetamide
CID 106137809

Frequently Asked Questions

What is the IUPAC name of 2-sulfanyl-N-[[(2-sulfanylacetyl)amino]methyl]acetamide?
The IUPAC name of 2-sulfanyl-N-[[(2-sulfanylacetyl)amino]methyl]acetamide (CID 22942530) is 2-sulfanyl-N-[[(2-sulfanylacetyl)amino]methyl]acetamide.
What is the SMILES notation for 2-sulfanyl-N-[[(2-sulfanylacetyl)amino]methyl]acetamide?
The canonical SMILES for 2-sulfanyl-N-[[(2-sulfanylacetyl)amino]methyl]acetamide is O=C(CS)NCNC(=O)CS.
What is the InChIKey of 2-sulfanyl-N-[[(2-sulfanylacetyl)amino]methyl]acetamide?
The InChIKey is WLKYFYWDZLZFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S2/c8-4(1-10)6-3-7-5(9)2-11/h10-11H,1-3H2,(H,6,8)(H,7,9).
What are the key properties of 2-sulfanyl-N-[[(2-sulfanylacetyl)amino]methyl]acetamide?
2-sulfanyl-N-[[(2-sulfanylacetyl)amino]methyl]acetamide has a molecular weight of 194.28 g/mol, XLogP of -0.96, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-N-[[(2-sulfanylacetyl)amino]methyl]acetamide is sourced from PubChem (CID 22942530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).