2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide

C16H26N4O4S — CID 50792491

IUPAC2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCC1CCN(S(=O)(=O)c2cn(CC(=O)NCC3CCCO3)cn2)CC1
InChIInChI=1S/C16H26N4O4S/c1-13-4-6-20(7-5-13)25(22,23)16-11-19(12-18-16)10-15(21)17-9-14-3-2-8-24-14/h11-14H,2-10H2,1H3,(H,17,21)
InChIKeyGNYDQZKYGQXRIU-UHFFFAOYSA-N
MW370.48 g/mol
LogP0.60
Rot. Bonds6

About 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide

2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 50792491) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID50792491
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC Name2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCC1CCN(S(=O)(=O)c2cn(CC(=O)NCC3CCCO3)cn2)CC1
InChIInChI=1S/C16H26N4O4S/c1-13-4-6-20(7-5-13)25(22,23)16-11-19(12-18-16)10-15(21)17-9-14-3-2-8-24-14/h11-14H,2-10H2,1H3,(H,17,21)
InChIKeyGNYDQZKYGQXRIU-UHFFFAOYSA-N
XLogP0.60
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide 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-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 50792491) is 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide is CC1CCN(S(=O)(=O)c2cn(CC(=O)NCC3CCCO3)cn2)CC1.
What is the InChIKey of 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is GNYDQZKYGQXRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-13-4-6-20(7-5-13)25(22,23)16-11-19(12-18-16)10-15(21)17-9-14-3-2-8-24-14/h11-14H,2-10H2,1H3,(H,17,21).
What are the key properties of 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 370.48 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 50792491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).