2-(3-amino-2-methylpropyl)sulfanyl-N-(3-ethylpent-1-yn-3-yl)acetamide

C13H24N2OS — CID 66227491

IUPAC2-(3-amino-2-methylpropyl)sulfanyl-N-(3-ethylpent-1-yn-3-yl)acetamide
SMILESC#CC(CC)(CC)NC(=O)CSCC(C)CN
InChIInChI=1S/C13H24N2OS/c1-5-13(6-2,7-3)15-12(16)10-17-9-11(4)8-14/h1,11H,6-10,14H2,2-4H3,(H,15,16)
InChIKeyYHQJPSSXOLWWHO-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.62
Rot. Bonds8

About 2-(3-amino-2-methylpropyl)sulfanyl-N-(3-ethylpent-1-yn-3-yl)acetamide

2-(3-amino-2-methylpropyl)sulfanyl-N-(3-ethylpent-1-yn-3-yl)acetamide (PubChem CID 66227491) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 2-(3-amino-2-methylpropyl)sulfanyl-N-(3-ethylpent-1-yn-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-2-methylpropyl)sulfanyl-N-(3-ethylpent-1-yn-3-yl)acetamide
PubChem CID66227491
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name2-(3-amino-2-methylpropyl)sulfanyl-N-(3-ethylpent-1-yn-3-yl)acetamide
SMILESC#CC(CC)(CC)NC(=O)CSCC(C)CN
InChIInChI=1S/C13H24N2OS/c1-5-13(6-2,7-3)15-12(16)10-17-9-11(4)8-14/h1,11H,6-10,14H2,2-4H3,(H,15,16)
InChIKeyYHQJPSSXOLWWHO-UHFFFAOYSA-N
XLogP1.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylpropyl)sulfanyl-N-(3-ethylpent-1-yn-3-yl)acetamide?
The IUPAC name of 2-(3-amino-2-methylpropyl)sulfanyl-N-(3-ethylpent-1-yn-3-yl)acetamide (CID 66227491) is 2-(3-amino-2-methylpropyl)sulfanyl-N-(3-ethylpent-1-yn-3-yl)acetamide.
What is the SMILES notation for 2-(3-amino-2-methylpropyl)sulfanyl-N-(3-ethylpent-1-yn-3-yl)acetamide?
The canonical SMILES for 2-(3-amino-2-methylpropyl)sulfanyl-N-(3-ethylpent-1-yn-3-yl)acetamide is C#CC(CC)(CC)NC(=O)CSCC(C)CN.
What is the InChIKey of 2-(3-amino-2-methylpropyl)sulfanyl-N-(3-ethylpent-1-yn-3-yl)acetamide?
The InChIKey is YHQJPSSXOLWWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-5-13(6-2,7-3)15-12(16)10-17-9-11(4)8-14/h1,11H,6-10,14H2,2-4H3,(H,15,16).
What are the key properties of 2-(3-amino-2-methylpropyl)sulfanyl-N-(3-ethylpent-1-yn-3-yl)acetamide?
2-(3-amino-2-methylpropyl)sulfanyl-N-(3-ethylpent-1-yn-3-yl)acetamide has a molecular weight of 256.41 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylpropyl)sulfanyl-N-(3-ethylpent-1-yn-3-yl)acetamide is sourced from PubChem (CID 66227491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).