(5S)-7-(benzenesulfonyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane

C18H22N4O2S — CID 3234892

IUPAC(5S)-7-(benzenesulfonyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C18H22N4O2S/c23-25(24,16-6-2-1-3-7-16)22-12-4-8-18(15-22)9-13-21(14-18)17-19-10-5-11-20-17/h1-3,5-7,10-11H,4,8-9,12-15H2/t18-/m0/s1
InChIKeyKTZIYIREMVFTED-SFHVURJKSA-N
MW358.47 g/mol
LogP2.16
Rot. Bonds3

About (5S)-7-(benzenesulfonyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane

(5S)-7-(benzenesulfonyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane (PubChem CID 3234892) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is (5S)-7-(benzenesulfonyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-7-(benzenesulfonyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
PubChem CID3234892
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name(5S)-7-(benzenesulfonyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C18H22N4O2S/c23-25(24,16-6-2-1-3-7-16)22-12-4-8-18(15-22)9-13-21(14-18)17-19-10-5-11-20-17/h1-3,5-7,10-11H,4,8-9,12-15H2/t18-/m0/s1
InChIKeyKTZIYIREMVFTED-SFHVURJKSA-N
XLogP2.16
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5S)-7-(benzenesulfonyl)-2-pyrimidin-2-yl-2,7-diazaspiro[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 (5S)-7-(benzenesulfonyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane?
The IUPAC name of (5S)-7-(benzenesulfonyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane (CID 3234892) is (5S)-7-(benzenesulfonyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-7-(benzenesulfonyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-7-(benzenesulfonyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane is O=S(=O)(c1ccccc1)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1.
What is the InChIKey of (5S)-7-(benzenesulfonyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane?
The InChIKey is KTZIYIREMVFTED-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22N4O2S/c23-25(24,16-6-2-1-3-7-16)22-12-4-8-18(15-22)9-13-21(14-18)17-19-10-5-11-20-17/h1-3,5-7,10-11H,4,8-9,12-15H2/t18-/m0/s1.
What are the key properties of (5S)-7-(benzenesulfonyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane?
(5S)-7-(benzenesulfonyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane has a molecular weight of 358.47 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(benzenesulfonyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 3234892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).