7-cyclopropylsulfonyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octane

C14H20N4O2S — CID 97472644

IUPAC7-cyclopropylsulfonyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octane
SMILESCc1cnc(N2CC3(CCN(S(=O)(=O)C4CC4)C3)C2)nc1
InChIInChI=1S/C14H20N4O2S/c1-11-6-15-13(16-7-11)17-8-14(9-17)4-5-18(10-14)21(19,20)12-2-3-12/h6-7,12H,2-5,8-10H2,1H3
InChIKeyMLULJZMLPWGCEI-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.79
Rot. Bonds3

About 7-cyclopropylsulfonyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octane

7-cyclopropylsulfonyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octane (PubChem CID 97472644) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 7-cyclopropylsulfonyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name7-cyclopropylsulfonyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octane
PubChem CID97472644
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name7-cyclopropylsulfonyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octane
SMILESCc1cnc(N2CC3(CCN(S(=O)(=O)C4CC4)C3)C2)nc1
InChIInChI=1S/C14H20N4O2S/c1-11-6-15-13(16-7-11)17-8-14(9-17)4-5-18(10-14)21(19,20)12-2-3-12/h6-7,12H,2-5,8-10H2,1H3
InChIKeyMLULJZMLPWGCEI-UHFFFAOYSA-N
XLogP0.79
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-cyclopropylsulfonyl-2-(5-methylpyrimidin-2-yl)-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 7-cyclopropylsulfonyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octane?
The IUPAC name of 7-cyclopropylsulfonyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octane (CID 97472644) is 7-cyclopropylsulfonyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 7-cyclopropylsulfonyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 7-cyclopropylsulfonyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octane is Cc1cnc(N2CC3(CCN(S(=O)(=O)C4CC4)C3)C2)nc1.
What is the InChIKey of 7-cyclopropylsulfonyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octane?
The InChIKey is MLULJZMLPWGCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-11-6-15-13(16-7-11)17-8-14(9-17)4-5-18(10-14)21(19,20)12-2-3-12/h6-7,12H,2-5,8-10H2,1H3.
What are the key properties of 7-cyclopropylsulfonyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octane?
7-cyclopropylsulfonyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octane has a molecular weight of 308.41 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropylsulfonyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 97472644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).