2-cyclopropylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane

C15H21FN4O2S — CID 118739084

IUPAC2-cyclopropylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
SMILESO=S(=O)(C1CC1)N1CCC2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C15H21FN4O2S/c16-12-8-17-14(18-9-12)19-6-1-4-15(10-19)5-7-20(11-15)23(21,22)13-2-3-13/h8-9,13H,1-7,10-11H2
InChIKeyZHDIZUPYVNLOJO-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.40
Rot. Bonds3

About 2-cyclopropylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane

2-cyclopropylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane (PubChem CID 118739084) has the molecular formula C15H21FN4O2S and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-cyclopropylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-cyclopropylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
PubChem CID118739084
Molecular FormulaC15H21FN4O2S
Molecular Weight340.42 g/mol
Exact Mass340.14
IUPAC Name2-cyclopropylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
SMILESO=S(=O)(C1CC1)N1CCC2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C15H21FN4O2S/c16-12-8-17-14(18-9-12)19-6-1-4-15(10-19)5-7-20(11-15)23(21,22)13-2-3-13/h8-9,13H,1-7,10-11H2
InChIKeyZHDIZUPYVNLOJO-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of 2-cyclopropylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane (CID 118739084) is 2-cyclopropylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 2-cyclopropylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 2-cyclopropylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane is O=S(=O)(C1CC1)N1CCC2(CCCN(c3ncc(F)cn3)C2)C1.
What is the InChIKey of 2-cyclopropylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane?
The InChIKey is ZHDIZUPYVNLOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O2S/c16-12-8-17-14(18-9-12)19-6-1-4-15(10-19)5-7-20(11-15)23(21,22)13-2-3-13/h8-9,13H,1-7,10-11H2.
What are the key properties of 2-cyclopropylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane?
2-cyclopropylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane has a molecular weight of 340.42 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylsulfonyl-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 118739084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).