2-(prop-2-ynylamino)-N-(thian-2-ylmethyl)acetamide

C11H18N2OS — CID 80600284

IUPAC2-(prop-2-ynylamino)-N-(thian-2-ylmethyl)acetamide
SMILESC#CCNCC(=O)NCC1CCCCS1
InChIInChI=1S/C11H18N2OS/c1-2-6-12-9-11(14)13-8-10-5-3-4-7-15-10/h1,10,12H,3-9H2,(H,13,14)
InChIKeyBTHPDDOXWAIYSO-UHFFFAOYSA-N
MW226.34 g/mol
LogP0.61
Rot. Bonds5

About 2-(prop-2-ynylamino)-N-(thian-2-ylmethyl)acetamide

2-(prop-2-ynylamino)-N-(thian-2-ylmethyl)acetamide (PubChem CID 80600284) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-(prop-2-ynylamino)-N-(thian-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(prop-2-ynylamino)-N-(thian-2-ylmethyl)acetamide
PubChem CID80600284
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-(prop-2-ynylamino)-N-(thian-2-ylmethyl)acetamide
SMILESC#CCNCC(=O)NCC1CCCCS1
InChIInChI=1S/C11H18N2OS/c1-2-6-12-9-11(14)13-8-10-5-3-4-7-15-10/h1,10,12H,3-9H2,(H,13,14)
InChIKeyBTHPDDOXWAIYSO-UHFFFAOYSA-N
XLogP0.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(prop-2-ynylamino)-N-(thian-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopropylmethylamino)-N-(thian-2-ylmethyl)acetamide
CID 80600083
N-ethyl-2-(thian-2-ylmethylamino)acetamide
CID 80600619
2-(propan-2-ylamino)-N-(thian-2-ylmethyl)acetamide
CID 80600978
2-(methylamino)-N-(thiolan-2-ylmethyl)acetamide
CID 80584517
3-oxo-3-(thian-2-ylmethylamino)propanoic acid
CID 80612290
N-prop-2-ynyl-2-(thian-2-ylmethylamino)propanamide
CID 80600231
2-(2-methoxyethylamino)-N-(thiolan-2-ylmethyl)acetamide;hydrochloride
CID 119790691
4-oxo-4-(thian-2-ylmethylamino)butanoic acid
CID 80596063
N-propyl-2-(thiolan-2-ylmethylamino)acetamide
CID 80585576
N-[(4-methylcyclohexyl)methyl]-2-(prop-2-ynylamino)acetamide
CID 79272351
2-amino-N-[2-oxo-2-(thiolan-2-ylmethylamino)ethyl]acetamide
CID 80584787
1-pyrrolidin-1-yl-2-(thian-2-ylmethylamino)ethanone
CID 80600916

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-ynylamino)-N-(thian-2-ylmethyl)acetamide?
The IUPAC name of 2-(prop-2-ynylamino)-N-(thian-2-ylmethyl)acetamide (CID 80600284) is 2-(prop-2-ynylamino)-N-(thian-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(prop-2-ynylamino)-N-(thian-2-ylmethyl)acetamide?
The canonical SMILES for 2-(prop-2-ynylamino)-N-(thian-2-ylmethyl)acetamide is C#CCNCC(=O)NCC1CCCCS1.
What is the InChIKey of 2-(prop-2-ynylamino)-N-(thian-2-ylmethyl)acetamide?
The InChIKey is BTHPDDOXWAIYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-2-6-12-9-11(14)13-8-10-5-3-4-7-15-10/h1,10,12H,3-9H2,(H,13,14).
What are the key properties of 2-(prop-2-ynylamino)-N-(thian-2-ylmethyl)acetamide?
2-(prop-2-ynylamino)-N-(thian-2-ylmethyl)acetamide has a molecular weight of 226.34 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-ynylamino)-N-(thian-2-ylmethyl)acetamide is sourced from PubChem (CID 80600284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).