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

C14H20N4O2S — CID 97472792

IUPAC2-cyclopropylsulfonyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octane
SMILESCc1cnc(N2CCC3(C2)CN(S(=O)(=O)C2CC2)C3)nc1
InChIInChI=1S/C14H20N4O2S/c1-11-6-15-13(16-7-11)17-5-4-14(8-17)9-18(10-14)21(19,20)12-2-3-12/h6-7,12H,2-5,8-10H2,1H3
InChIKeyTVKFEYKIAIXDGQ-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.79
Rot. Bonds3

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

2-cyclopropylsulfonyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octane (PubChem CID 97472792) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-cyclopropylsulfonyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name2-cyclopropylsulfonyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octane
PubChem CID97472792
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name2-cyclopropylsulfonyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octane
SMILESCc1cnc(N2CCC3(C2)CN(S(=O)(=O)C2CC2)C3)nc1
InChIInChI=1S/C14H20N4O2S/c1-11-6-15-13(16-7-11)17-5-4-14(8-17)9-18(10-14)21(19,20)12-2-3-12/h6-7,12H,2-5,8-10H2,1H3
InChIKeyTVKFEYKIAIXDGQ-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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylsulfonyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octane?
The IUPAC name of 2-cyclopropylsulfonyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octane (CID 97472792) is 2-cyclopropylsulfonyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 2-cyclopropylsulfonyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 2-cyclopropylsulfonyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octane is Cc1cnc(N2CCC3(C2)CN(S(=O)(=O)C2CC2)C3)nc1.
What is the InChIKey of 2-cyclopropylsulfonyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octane?
The InChIKey is TVKFEYKIAIXDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-11-6-15-13(16-7-11)17-5-4-14(8-17)9-18(10-14)21(19,20)12-2-3-12/h6-7,12H,2-5,8-10H2,1H3.
What are the key properties of 2-cyclopropylsulfonyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octane?
2-cyclopropylsulfonyl-7-(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 2-cyclopropylsulfonyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 97472792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).