2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide

C13H26N2O2S — CID 114232712

IUPAC2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide
SMILESCCCNC(=O)CS(=O)C1CCC(NCC)C1C
InChIInChI=1S/C13H26N2O2S/c1-4-8-15-13(16)9-18(17)12-7-6-11(10(12)3)14-5-2/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyAJPDNWNAMVLFCQ-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.04
Rot. Bonds7

About 2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide

2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide (PubChem CID 114232712) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide.

Molecular Properties

Compound Name2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide
PubChem CID114232712
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide
SMILESCCCNC(=O)CS(=O)C1CCC(NCC)C1C
InChIInChI=1S/C13H26N2O2S/c1-4-8-15-13(16)9-18(17)12-7-6-11(10(12)3)14-5-2/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyAJPDNWNAMVLFCQ-UHFFFAOYSA-N
XLogP1.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide 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 2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide?
The IUPAC name of 2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide (CID 114232712) is 2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide.
What is the SMILES notation for 2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide?
The canonical SMILES for 2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide is CCCNC(=O)CS(=O)C1CCC(NCC)C1C.
What is the InChIKey of 2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide?
The InChIKey is AJPDNWNAMVLFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-4-8-15-13(16)9-18(17)12-7-6-11(10(12)3)14-5-2/h10-12,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide?
2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide has a molecular weight of 274.43 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)-2-methylcyclopentyl]sulfinyl-N-propylacetamide is sourced from PubChem (CID 114232712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).