5-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)pentanamide

C12H22ClNO2S — CID 54875079

IUPAC5-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)pentanamide
SMILESCOCCN(C(=O)CCCCCl)C1CCSC1
InChIInChI=1S/C12H22ClNO2S/c1-16-8-7-14(11-5-9-17-10-11)12(15)4-2-3-6-13/h11H,2-10H2,1H3
InChIKeyDIRMVNCBJUDEKG-UHFFFAOYSA-N
MW279.83 g/mol
LogP2.38
Rot. Bonds8

About 5-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)pentanamide

5-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)pentanamide (PubChem CID 54875079) has the molecular formula C12H22ClNO2S and a molecular weight of 279.83 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)pentanamide
PubChem CID54875079
Molecular FormulaC12H22ClNO2S
Molecular Weight279.83 g/mol
Exact Mass279.11
IUPAC Name5-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)pentanamide
SMILESCOCCN(C(=O)CCCCCl)C1CCSC1
InChIInChI=1S/C12H22ClNO2S/c1-16-8-7-14(11-5-9-17-10-11)12(15)4-2-3-6-13/h11H,2-10H2,1H3
InChIKeyDIRMVNCBJUDEKG-UHFFFAOYSA-N
XLogP2.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.83
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)pentanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)pentanamide?
The IUPAC name of 5-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)pentanamide (CID 54875079) is 5-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)pentanamide.
What is the SMILES notation for 5-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)pentanamide?
The canonical SMILES for 5-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)pentanamide is COCCN(C(=O)CCCCCl)C1CCSC1.
What is the InChIKey of 5-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)pentanamide?
The InChIKey is DIRMVNCBJUDEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO2S/c1-16-8-7-14(11-5-9-17-10-11)12(15)4-2-3-6-13/h11H,2-10H2,1H3.
What are the key properties of 5-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)pentanamide?
5-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)pentanamide has a molecular weight of 279.83 g/mol, XLogP of 2.38, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)pentanamide is sourced from PubChem (CID 54875079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).