2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2R)-thiolan-2-yl]methyl]acetamide

C12H19NOS — CID 97068704

IUPAC2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2R)-thiolan-2-yl]methyl]acetamide
SMILESO=C(C[C@@H]1C=CCC1)NC[C@H]1CCCS1
InChIInChI=1S/C12H19NOS/c14-12(8-10-4-1-2-5-10)13-9-11-6-3-7-15-11/h1,4,10-11H,2-3,5-9H2,(H,13,14)/t10-,11-/m1/s1
InChIKeyKLRJGAWAKTXEJR-GHMZBOCLSA-N
MW225.36 g/mol
LogP2.35
Rot. Bonds4

About 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2R)-thiolan-2-yl]methyl]acetamide

2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2R)-thiolan-2-yl]methyl]acetamide (PubChem CID 97068704) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2R)-thiolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2R)-thiolan-2-yl]methyl]acetamide
PubChem CID97068704
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2R)-thiolan-2-yl]methyl]acetamide
SMILESO=C(C[C@@H]1C=CCC1)NC[C@H]1CCCS1
InChIInChI=1S/C12H19NOS/c14-12(8-10-4-1-2-5-10)13-9-11-6-3-7-15-11/h1,4,10-11H,2-3,5-9H2,(H,13,14)/t10-,11-/m1/s1
InChIKeyKLRJGAWAKTXEJR-GHMZBOCLSA-N
XLogP2.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2R)-thiolan-2-yl]methyl]acetamide with MolForge

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Related Compounds

2-amino-N-[2-oxo-2-(thiolan-2-ylmethylamino)ethyl]acetamide
CID 80584787
2-[(2R)-oxolan-2-yl]-N-[[(2R)-thiolan-2-yl]methyl]acetamide
CID 97068683
2-(methylamino)-N-(thiolan-2-ylmethyl)acetamide
CID 80584517
3-oxo-3-(thian-2-ylmethylamino)propanoic acid
CID 80612290
N-(3-aminopropyl)-2-cyclopent-2-en-1-ylacetamide
CID 62268451
2-(cyclopropylmethylamino)-N-(thian-2-ylmethyl)acetamide
CID 80600083
2-[(1R)-cyclopent-2-en-1-yl]-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]acetamide
CID 97258947
2-cyclopent-2-en-1-yl-N-(2-hydroxy-2-propylpentyl)acetamide
CID 111444858
4-oxo-4-(thian-2-ylmethylamino)butanoic acid
CID 80596063
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thian-2-ylmethyl)acetamide
CID 80601172
2-(1-aminocyclohexyl)-N-(thiolan-2-ylmethyl)acetamide
CID 80584404
2-(2-methoxyethylamino)-N-(thiolan-2-ylmethyl)acetamide;hydrochloride
CID 119790691

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2R)-thiolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2R)-thiolan-2-yl]methyl]acetamide (CID 97068704) is 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2R)-thiolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2R)-thiolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2R)-thiolan-2-yl]methyl]acetamide is O=C(C[C@@H]1C=CCC1)NC[C@H]1CCCS1.
What is the InChIKey of 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2R)-thiolan-2-yl]methyl]acetamide?
The InChIKey is KLRJGAWAKTXEJR-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H19NOS/c14-12(8-10-4-1-2-5-10)13-9-11-6-3-7-15-11/h1,4,10-11H,2-3,5-9H2,(H,13,14)/t10-,11-/m1/s1.
What are the key properties of 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2R)-thiolan-2-yl]methyl]acetamide?
2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2R)-thiolan-2-yl]methyl]acetamide has a molecular weight of 225.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2R)-thiolan-2-yl]methyl]acetamide is sourced from PubChem (CID 97068704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).