(2R)-2-(methoxymethyl)-1-methylsulfonyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane

C15H24N4O3S — CID 97476438

IUPAC(2R)-2-(methoxymethyl)-1-methylsulfonyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
SMILESCOC[C@H]1CCC2(CCN(c3ncccn3)CC2)N1S(C)(=O)=O
InChIInChI=1S/C15H24N4O3S/c1-22-12-13-4-5-15(19(13)23(2,20)21)6-10-18(11-7-15)14-16-8-3-9-17-14/h3,8-9,13H,4-7,10-12H2,1-2H3/t13-/m1/s1
InChIKeyJLVWIQQBOONAPR-CYBMUJFWSA-N
MW340.45 g/mol
LogP0.89
Rot. Bonds4

About (2R)-2-(methoxymethyl)-1-methylsulfonyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane

(2R)-2-(methoxymethyl)-1-methylsulfonyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane (PubChem CID 97476438) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is (2R)-2-(methoxymethyl)-1-methylsulfonyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(2R)-2-(methoxymethyl)-1-methylsulfonyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
PubChem CID97476438
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name(2R)-2-(methoxymethyl)-1-methylsulfonyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
SMILESCOC[C@H]1CCC2(CCN(c3ncccn3)CC2)N1S(C)(=O)=O
InChIInChI=1S/C15H24N4O3S/c1-22-12-13-4-5-15(19(13)23(2,20)21)6-10-18(11-7-15)14-16-8-3-9-17-14/h3,8-9,13H,4-7,10-12H2,1-2H3/t13-/m1/s1
InChIKeyJLVWIQQBOONAPR-CYBMUJFWSA-N
XLogP0.89
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methoxymethyl)-1-methylsulfonyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
The IUPAC name of (2R)-2-(methoxymethyl)-1-methylsulfonyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane (CID 97476438) is (2R)-2-(methoxymethyl)-1-methylsulfonyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for (2R)-2-(methoxymethyl)-1-methylsulfonyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
The canonical SMILES for (2R)-2-(methoxymethyl)-1-methylsulfonyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane is COC[C@H]1CCC2(CCN(c3ncccn3)CC2)N1S(C)(=O)=O.
What is the InChIKey of (2R)-2-(methoxymethyl)-1-methylsulfonyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
The InChIKey is JLVWIQQBOONAPR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-22-12-13-4-5-15(19(13)23(2,20)21)6-10-18(11-7-15)14-16-8-3-9-17-14/h3,8-9,13H,4-7,10-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-2-(methoxymethyl)-1-methylsulfonyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane?
(2R)-2-(methoxymethyl)-1-methylsulfonyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane has a molecular weight of 340.45 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methoxymethyl)-1-methylsulfonyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97476438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).