8-cyclopropylsulfonyl-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane

C17H26N4O3S — CID 118743446

IUPAC8-cyclopropylsulfonyl-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CC2(CCN(S(=O)(=O)C3CC3)CC2)CN1c1ncccn1
InChIInChI=1S/C17H26N4O3S/c1-24-12-14-11-17(13-21(14)16-18-7-2-8-19-16)5-9-20(10-6-17)25(22,23)15-3-4-15/h2,7-8,14-15H,3-6,9-13H2,1H3
InChIKeyDVQZCQRQMCIUOI-UHFFFAOYSA-N
MW366.49 g/mol
LogP1.28
Rot. Bonds5

About 8-cyclopropylsulfonyl-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane

8-cyclopropylsulfonyl-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 118743446) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is 8-cyclopropylsulfonyl-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-cyclopropylsulfonyl-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
PubChem CID118743446
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC Name8-cyclopropylsulfonyl-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CC2(CCN(S(=O)(=O)C3CC3)CC2)CN1c1ncccn1
InChIInChI=1S/C17H26N4O3S/c1-24-12-14-11-17(13-21(14)16-18-7-2-8-19-16)5-9-20(10-6-17)25(22,23)15-3-4-15/h2,7-8,14-15H,3-6,9-13H2,1H3
InChIKeyDVQZCQRQMCIUOI-UHFFFAOYSA-N
XLogP1.28
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropylsulfonyl-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-cyclopropylsulfonyl-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane (CID 118743446) is 8-cyclopropylsulfonyl-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-cyclopropylsulfonyl-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-cyclopropylsulfonyl-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane is COCC1CC2(CCN(S(=O)(=O)C3CC3)CC2)CN1c1ncccn1.
What is the InChIKey of 8-cyclopropylsulfonyl-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The InChIKey is DVQZCQRQMCIUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S/c1-24-12-14-11-17(13-21(14)16-18-7-2-8-19-16)5-9-20(10-6-17)25(22,23)15-3-4-15/h2,7-8,14-15H,3-6,9-13H2,1H3.
What are the key properties of 8-cyclopropylsulfonyl-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
8-cyclopropylsulfonyl-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 366.49 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropylsulfonyl-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 118743446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).