7-cyclopropylsulfonyl-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[3.4]octane

C14H20N4O3S — CID 97472641

IUPAC7-cyclopropylsulfonyl-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[3.4]octane
SMILESCOc1cc(N2CC3(CCN(S(=O)(=O)C4CC4)C3)C2)ncn1
InChIInChI=1S/C14H20N4O3S/c1-21-13-6-12(15-10-16-13)17-7-14(8-17)4-5-18(9-14)22(19,20)11-2-3-11/h6,10-11H,2-5,7-9H2,1H3
InChIKeyMSHIITLYGIEMPR-UHFFFAOYSA-N
MW324.41 g/mol
LogP0.49
Rot. Bonds4

About 7-cyclopropylsulfonyl-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[3.4]octane

7-cyclopropylsulfonyl-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[3.4]octane (PubChem CID 97472641) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is 7-cyclopropylsulfonyl-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name7-cyclopropylsulfonyl-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[3.4]octane
PubChem CID97472641
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC Name7-cyclopropylsulfonyl-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[3.4]octane
SMILESCOc1cc(N2CC3(CCN(S(=O)(=O)C4CC4)C3)C2)ncn1
InChIInChI=1S/C14H20N4O3S/c1-21-13-6-12(15-10-16-13)17-7-14(8-17)4-5-18(9-14)22(19,20)11-2-3-11/h6,10-11H,2-5,7-9H2,1H3
InChIKeyMSHIITLYGIEMPR-UHFFFAOYSA-N
XLogP0.49
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropylsulfonyl-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[3.4]octane?
The IUPAC name of 7-cyclopropylsulfonyl-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[3.4]octane (CID 97472641) is 7-cyclopropylsulfonyl-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 7-cyclopropylsulfonyl-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 7-cyclopropylsulfonyl-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[3.4]octane is COc1cc(N2CC3(CCN(S(=O)(=O)C4CC4)C3)C2)ncn1.
What is the InChIKey of 7-cyclopropylsulfonyl-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[3.4]octane?
The InChIKey is MSHIITLYGIEMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-21-13-6-12(15-10-16-13)17-7-14(8-17)4-5-18(9-14)22(19,20)11-2-3-11/h6,10-11H,2-5,7-9H2,1H3.
What are the key properties of 7-cyclopropylsulfonyl-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[3.4]octane?
7-cyclopropylsulfonyl-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[3.4]octane has a molecular weight of 324.41 g/mol, XLogP of 0.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropylsulfonyl-2-(6-methoxypyrimidin-4-yl)-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 97472641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).