N-[(2-chlorocyclopentyl)methyl]thiolane-2-carboxamide

C11H18ClNOS — CID 114303282

IUPACN-[(2-chlorocyclopentyl)methyl]thiolane-2-carboxamide
SMILESO=C(NCC1CCCC1Cl)C1CCCS1
InChIInChI=1S/C11H18ClNOS/c12-9-4-1-3-8(9)7-13-11(14)10-5-2-6-15-10/h8-10H,1-7H2,(H,13,14)
InChIKeyOTLLXOHBSOOIHA-UHFFFAOYSA-N
MW247.79 g/mol
LogP2.41
Rot. Bonds3

About N-[(2-chlorocyclopentyl)methyl]thiolane-2-carboxamide

N-[(2-chlorocyclopentyl)methyl]thiolane-2-carboxamide (PubChem CID 114303282) has the molecular formula C11H18ClNOS and a molecular weight of 247.79 g/mol. Its IUPAC name is N-[(2-chlorocyclopentyl)methyl]thiolane-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorocyclopentyl)methyl]thiolane-2-carboxamide
PubChem CID114303282
Molecular FormulaC11H18ClNOS
Molecular Weight247.79 g/mol
Exact Mass247.08
IUPAC NameN-[(2-chlorocyclopentyl)methyl]thiolane-2-carboxamide
SMILESO=C(NCC1CCCC1Cl)C1CCCS1
InChIInChI=1S/C11H18ClNOS/c12-9-4-1-3-8(9)7-13-11(14)10-5-2-6-15-10/h8-10H,1-7H2,(H,13,14)
InChIKeyOTLLXOHBSOOIHA-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

N-[(2-chlorocyclohexyl)methyl]cyclopentanecarboxamide
CID 114301412
N-[(3-hydroxycyclobutyl)methyl]thiolane-2-carboxamide
CID 66006893
N-[(3-hydroxycyclohexyl)methyl]thiolane-2-carboxamide
CID 103712034
N-[(2-chlorocyclopentyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107003247
N-[(3-hydroxycyclobutyl)methyl]thiane-2-carboxamide
CID 80595405
N-[(2-chlorocyclopentyl)methyl]-2-methyloxolane-3-carboxamide
CID 114303020
N-(3-chlorobutyl)thiolane-2-carboxamide
CID 114302010
N-[(3-hydroxycyclopentyl)methyl]thiane-2-carboxamide
CID 103280631
N-(6-hydroxyhexyl)thiolane-2-carboxamide
CID 103919325
N-[(2-chlorocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 113272704
N-[(2-chlorocyclohexyl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 113272694
N-(2-amino-2-oxoethoxy)thiolane-2-carboxamide
CID 112551031

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclopentyl)methyl]thiolane-2-carboxamide?
The IUPAC name of N-[(2-chlorocyclopentyl)methyl]thiolane-2-carboxamide (CID 114303282) is N-[(2-chlorocyclopentyl)methyl]thiolane-2-carboxamide.
What is the SMILES notation for N-[(2-chlorocyclopentyl)methyl]thiolane-2-carboxamide?
The canonical SMILES for N-[(2-chlorocyclopentyl)methyl]thiolane-2-carboxamide is O=C(NCC1CCCC1Cl)C1CCCS1.
What is the InChIKey of N-[(2-chlorocyclopentyl)methyl]thiolane-2-carboxamide?
The InChIKey is OTLLXOHBSOOIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNOS/c12-9-4-1-3-8(9)7-13-11(14)10-5-2-6-15-10/h8-10H,1-7H2,(H,13,14).
What are the key properties of N-[(2-chlorocyclopentyl)methyl]thiolane-2-carboxamide?
N-[(2-chlorocyclopentyl)methyl]thiolane-2-carboxamide 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 N-[(2-chlorocyclopentyl)methyl]thiolane-2-carboxamide is sourced from PubChem (CID 114303282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).