2-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide

C10H15NOS2 — CID 72947309

IUPAC2-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
SMILESCC(CS)C(=O)NCCc1cccs1
InChIInChI=1S/C10H15NOS2/c1-8(7-13)10(12)11-5-4-9-3-2-6-14-9/h2-3,6,8,13H,4-5,7H2,1H3,(H,11,12)
InChIKeyKYBWWNMLLMNKOR-UHFFFAOYSA-N
MW229.37 g/mol
LogP1.97
Rot. Bonds5

About 2-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide

2-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 72947309) has the molecular formula C10H15NOS2 and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name2-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID72947309
Molecular FormulaC10H15NOS2
Molecular Weight229.37 g/mol
Exact Mass229.06
IUPAC Name2-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
SMILESCC(CS)C(=O)NCCc1cccs1
InChIInChI=1S/C10H15NOS2/c1-8(7-13)10(12)11-5-4-9-3-2-6-14-9/h2-3,6,8,13H,4-5,7H2,1H3,(H,11,12)
InChIKeyKYBWWNMLLMNKOR-UHFFFAOYSA-N
XLogP1.97
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
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 2-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 2-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide (CID 72947309) is 2-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 2-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 2-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide is CC(CS)C(=O)NCCc1cccs1.
What is the InChIKey of 2-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is KYBWWNMLLMNKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS2/c1-8(7-13)10(12)11-5-4-9-3-2-6-14-9/h2-3,6,8,13H,4-5,7H2,1H3,(H,11,12).
What are the key properties of 2-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide?
2-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 229.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 72947309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).