N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide

C16H24N2O2S — CID 114627014

IUPACN-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCc1ccc(CN(C(=O)CSC2CCNCC2)C2CC2)o1
InChIInChI=1S/C16H24N2O2S/c1-12-2-5-14(20-12)10-18(13-3-4-13)16(19)11-21-15-6-8-17-9-7-15/h2,5,13,15,17H,3-4,6-11H2,1H3
InChIKeyLWGATDYKJJBTJK-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.56
Rot. Bonds6

About N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide

N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114627014) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
PubChem CID114627014
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCc1ccc(CN(C(=O)CSC2CCNCC2)C2CC2)o1
InChIInChI=1S/C16H24N2O2S/c1-12-2-5-14(20-12)10-18(13-3-4-13)16(19)11-21-15-6-8-17-9-7-15/h2,5,13,15,17H,3-4,6-11H2,1H3
InChIKeyLWGATDYKJJBTJK-UHFFFAOYSA-N
XLogP2.56
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide 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 N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide (CID 114627014) is N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide is Cc1ccc(CN(C(=O)CSC2CCNCC2)C2CC2)o1.
What is the InChIKey of N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is LWGATDYKJJBTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-12-2-5-14(20-12)10-18(13-3-4-13)16(19)11-21-15-6-8-17-9-7-15/h2,5,13,15,17H,3-4,6-11H2,1H3.
What are the key properties of N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide?
N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 308.45 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114627014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).