N-[2-[(4-methylphenyl)sulfonylamino]sulfanylethyl]acetamide

C11H16N2O3S2 — CID 563032

IUPACN-[2-[(4-methylphenyl)sulfonylamino]sulfanylethyl]acetamide
SMILESCC(=O)NCCSNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H16N2O3S2/c1-9-3-5-11(6-4-9)18(15,16)13-17-8-7-12-10(2)14/h3-6,13H,7-8H2,1-2H3,(H,12,14)
InChIKeyHKCGSWPLZRVPDW-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.06
Rot. Bonds6

About N-[2-[(4-methylphenyl)sulfonylamino]sulfanylethyl]acetamide

N-[2-[(4-methylphenyl)sulfonylamino]sulfanylethyl]acetamide (PubChem CID 563032) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[2-[(4-methylphenyl)sulfonylamino]sulfanylethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-methylphenyl)sulfonylamino]sulfanylethyl]acetamide
PubChem CID563032
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC NameN-[2-[(4-methylphenyl)sulfonylamino]sulfanylethyl]acetamide
SMILESCC(=O)NCCSNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H16N2O3S2/c1-9-3-5-11(6-4-9)18(15,16)13-17-8-7-12-10(2)14/h3-6,13H,7-8H2,1-2H3,(H,12,14)
InChIKeyHKCGSWPLZRVPDW-UHFFFAOYSA-N
XLogP1.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylphenyl)sulfonylamino]sulfanylethyl]acetamide?
The IUPAC name of N-[2-[(4-methylphenyl)sulfonylamino]sulfanylethyl]acetamide (CID 563032) is N-[2-[(4-methylphenyl)sulfonylamino]sulfanylethyl]acetamide.
What is the SMILES notation for N-[2-[(4-methylphenyl)sulfonylamino]sulfanylethyl]acetamide?
The canonical SMILES for N-[2-[(4-methylphenyl)sulfonylamino]sulfanylethyl]acetamide is CC(=O)NCCSNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-[(4-methylphenyl)sulfonylamino]sulfanylethyl]acetamide?
The InChIKey is HKCGSWPLZRVPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-9-3-5-11(6-4-9)18(15,16)13-17-8-7-12-10(2)14/h3-6,13H,7-8H2,1-2H3,(H,12,14).
What are the key properties of N-[2-[(4-methylphenyl)sulfonylamino]sulfanylethyl]acetamide?
N-[2-[(4-methylphenyl)sulfonylamino]sulfanylethyl]acetamide has a molecular weight of 288.39 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylphenyl)sulfonylamino]sulfanylethyl]acetamide is sourced from PubChem (CID 563032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).