2-chloro-N-cyclopentyl-2-(thiolan-3-yl)acetamide

C11H18ClNOS — CID 107133565

IUPAC2-chloro-N-cyclopentyl-2-(thiolan-3-yl)acetamide
SMILESO=C(NC1CCCC1)C(Cl)C1CCSC1
InChIInChI=1S/C11H18ClNOS/c12-10(8-5-6-15-7-8)11(14)13-9-3-1-2-4-9/h8-10H,1-7H2,(H,13,14)
InChIKeyZUHPOPGLFGOGQU-UHFFFAOYSA-N
MW247.79 g/mol
LogP2.41
Rot. Bonds3

About 2-chloro-N-cyclopentyl-2-(thiolan-3-yl)acetamide

2-chloro-N-cyclopentyl-2-(thiolan-3-yl)acetamide (PubChem CID 107133565) has the molecular formula C11H18ClNOS and a molecular weight of 247.79 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-2-(thiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-2-(thiolan-3-yl)acetamide
PubChem CID107133565
Molecular FormulaC11H18ClNOS
Molecular Weight247.79 g/mol
Exact Mass247.08
IUPAC Name2-chloro-N-cyclopentyl-2-(thiolan-3-yl)acetamide
SMILESO=C(NC1CCCC1)C(Cl)C1CCSC1
InChIInChI=1S/C11H18ClNOS/c12-10(8-5-6-15-7-8)11(14)13-9-3-1-2-4-9/h8-10H,1-7H2,(H,13,14)
InChIKeyZUHPOPGLFGOGQU-UHFFFAOYSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.79
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-cyclohexyl-2-cyclopentylacetamide
CID 62224252
N-cyclopentylthiolane-3-carboxamide
CID 64592459
N-cyclohexylthiolane-3-carboxamide
CID 64590364
2-amino-N-cyclopentyl-2-cyclopropylacetamide
CID 130870089
2-cyclopropyl-N-(thiolan-3-yl)propanamide
CID 127000268
2-methyl-N-(thian-3-yl)propanamide
CID 115674781
N,N'-di(cycloheptyl)-2,3-dihydroxybutanediamide
CID 141089668
N-cyclohexyl-2-(thian-4-ylmethylamino)propanamide
CID 115625436
N-cyclohexylthiane-3-carboxamide
CID 110848935
N-cyclopentyl-2-(thiolan-3-ylmethylamino)acetamide
CID 107166294
N-cyclopentyl-2,2-difluoroacetamide
CID 103600661
2-(cyclopentylamino)-2-(thiolan-3-yl)acetonitrile
CID 107132960

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyl-2-(thiolan-3-yl)acetamide?
The IUPAC name of 2-chloro-N-cyclopentyl-2-(thiolan-3-yl)acetamide (CID 107133565) is 2-chloro-N-cyclopentyl-2-(thiolan-3-yl)acetamide.
What is the SMILES notation for 2-chloro-N-cyclopentyl-2-(thiolan-3-yl)acetamide?
The canonical SMILES for 2-chloro-N-cyclopentyl-2-(thiolan-3-yl)acetamide is O=C(NC1CCCC1)C(Cl)C1CCSC1.
What is the InChIKey of 2-chloro-N-cyclopentyl-2-(thiolan-3-yl)acetamide?
The InChIKey is ZUHPOPGLFGOGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNOS/c12-10(8-5-6-15-7-8)11(14)13-9-3-1-2-4-9/h8-10H,1-7H2,(H,13,14).
What are the key properties of 2-chloro-N-cyclopentyl-2-(thiolan-3-yl)acetamide?
2-chloro-N-cyclopentyl-2-(thiolan-3-yl)acetamide has a molecular weight of 247.79 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-2-(thiolan-3-yl)acetamide is sourced from PubChem (CID 107133565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).