8-(1-methylimidazol-4-yl)sulfonyl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane

C16H26N4O3S — CID 134080150

IUPAC8-(1-methylimidazol-4-yl)sulfonyl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCn1cnc(S(=O)(=O)N2CCC3(CC2)CC(N2CCCC2)CO3)c1
InChIInChI=1S/C16H26N4O3S/c1-18-11-15(17-13-18)24(21,22)20-8-4-16(5-9-20)10-14(12-23-16)19-6-2-3-7-19/h11,13-14H,2-10,12H2,1H3
InChIKeyQLWPCGOBIFUPCT-UHFFFAOYSA-N
MW354.48 g/mol
LogP0.83
Rot. Bonds3

About 8-(1-methylimidazol-4-yl)sulfonyl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane

8-(1-methylimidazol-4-yl)sulfonyl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 134080150) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is 8-(1-methylimidazol-4-yl)sulfonyl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(1-methylimidazol-4-yl)sulfonyl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane
PubChem CID134080150
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name8-(1-methylimidazol-4-yl)sulfonyl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane
SMILESCn1cnc(S(=O)(=O)N2CCC3(CC2)CC(N2CCCC2)CO3)c1
InChIInChI=1S/C16H26N4O3S/c1-18-11-15(17-13-18)24(21,22)20-8-4-16(5-9-20)10-14(12-23-16)19-6-2-3-7-19/h11,13-14H,2-10,12H2,1H3
InChIKeyQLWPCGOBIFUPCT-UHFFFAOYSA-N
XLogP0.83
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-(1-methylimidazol-4-yl)sulfonyl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane 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 8-(1-methylimidazol-4-yl)sulfonyl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(1-methylimidazol-4-yl)sulfonyl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane (CID 134080150) is 8-(1-methylimidazol-4-yl)sulfonyl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(1-methylimidazol-4-yl)sulfonyl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(1-methylimidazol-4-yl)sulfonyl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane is Cn1cnc(S(=O)(=O)N2CCC3(CC2)CC(N2CCCC2)CO3)c1.
What is the InChIKey of 8-(1-methylimidazol-4-yl)sulfonyl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is QLWPCGOBIFUPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-18-11-15(17-13-18)24(21,22)20-8-4-16(5-9-20)10-14(12-23-16)19-6-2-3-7-19/h11,13-14H,2-10,12H2,1H3.
What are the key properties of 8-(1-methylimidazol-4-yl)sulfonyl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane?
8-(1-methylimidazol-4-yl)sulfonyl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 354.48 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylimidazol-4-yl)sulfonyl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 134080150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).