N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylacetamide

C6H13NOS2 — CID 23104729

IUPACN-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylacetamide
SMILESCC(C)(CS)NC(=O)CS
InChIInChI=1S/C6H13NOS2/c1-6(2,4-10)7-5(8)3-9/h9-10H,3-4H2,1-2H3,(H,7,8)
InChIKeyZUWAWIFJLZWSTJ-UHFFFAOYSA-N
MW179.31 g/mol
LogP0.74
Rot. Bonds3

About N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylacetamide

N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylacetamide (PubChem CID 23104729) has the molecular formula C6H13NOS2 and a molecular weight of 179.31 g/mol. Its IUPAC name is N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylacetamide
PubChem CID23104729
Molecular FormulaC6H13NOS2
Molecular Weight179.31 g/mol
Exact Mass179.04
IUPAC NameN-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylacetamide
SMILESCC(C)(CS)NC(=O)CS
InChIInChI=1S/C6H13NOS2/c1-6(2,4-10)7-5(8)3-9/h9-10H,3-4H2,1-2H3,(H,7,8)
InChIKeyZUWAWIFJLZWSTJ-UHFFFAOYSA-N
XLogP0.74
TPSA29.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylacetamide?
The IUPAC name of N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylacetamide (CID 23104729) is N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylacetamide.
What is the SMILES notation for N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylacetamide?
The canonical SMILES for N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylacetamide is CC(C)(CS)NC(=O)CS.
What is the InChIKey of N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylacetamide?
The InChIKey is ZUWAWIFJLZWSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS2/c1-6(2,4-10)7-5(8)3-9/h9-10H,3-4H2,1-2H3,(H,7,8).
What are the key properties of N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylacetamide?
N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylacetamide has a molecular weight of 179.31 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-sulfanylpropan-2-yl)-2-sulfanylacetamide is sourced from PubChem (CID 23104729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).