2-(1-methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane

C14H24N4O2S — CID 97472658

IUPAC2-(1-methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane
SMILESCC(C)CN1CCC2(C1)CN(S(=O)(=O)c1cn(C)cn1)C2
InChIInChI=1S/C14H24N4O2S/c1-12(2)6-17-5-4-14(8-17)9-18(10-14)21(19,20)13-7-16(3)11-15-13/h7,11-12H,4-6,8-10H2,1-3H3
InChIKeyPSSNKTLKQUDCIO-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.77
Rot. Bonds4

About 2-(1-methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane

2-(1-methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane (PubChem CID 97472658) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-(1-methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name2-(1-methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane
PubChem CID97472658
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name2-(1-methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane
SMILESCC(C)CN1CCC2(C1)CN(S(=O)(=O)c1cn(C)cn1)C2
InChIInChI=1S/C14H24N4O2S/c1-12(2)6-17-5-4-14(8-17)9-18(10-14)21(19,20)13-7-16(3)11-15-13/h7,11-12H,4-6,8-10H2,1-3H3
InChIKeyPSSNKTLKQUDCIO-UHFFFAOYSA-N
XLogP0.77
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1-methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane 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-(1-methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane?
The IUPAC name of 2-(1-methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane (CID 97472658) is 2-(1-methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 2-(1-methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 2-(1-methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane is CC(C)CN1CCC2(C1)CN(S(=O)(=O)c1cn(C)cn1)C2.
What is the InChIKey of 2-(1-methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane?
The InChIKey is PSSNKTLKQUDCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-12(2)6-17-5-4-14(8-17)9-18(10-14)21(19,20)13-7-16(3)11-15-13/h7,11-12H,4-6,8-10H2,1-3H3.
What are the key properties of 2-(1-methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane?
2-(1-methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane has a molecular weight of 312.44 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-4-yl)sulfonyl-7-(2-methylpropyl)-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 97472658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).