2-cyclopropylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane

C15H22N4O2S — CID 118744483

IUPAC2-cyclopropylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
SMILESO=S(=O)(C1CC1)N1CCC2(CCCN(c3ncccn3)C2)C1
InChIInChI=1S/C15H22N4O2S/c20-22(21,13-3-4-13)19-10-6-15(12-19)5-1-9-18(11-15)14-16-7-2-8-17-14/h2,7-8,13H,1,3-6,9-12H2
InChIKeyYKCDDEQEJMYBAQ-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.26
Rot. Bonds3

About 2-cyclopropylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane

2-cyclopropylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane (PubChem CID 118744483) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-cyclopropylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-cyclopropylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
PubChem CID118744483
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name2-cyclopropylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
SMILESO=S(=O)(C1CC1)N1CCC2(CCCN(c3ncccn3)C2)C1
InChIInChI=1S/C15H22N4O2S/c20-22(21,13-3-4-13)19-10-6-15(12-19)5-1-9-18(11-15)14-16-7-2-8-17-14/h2,7-8,13H,1,3-6,9-12H2
InChIKeyYKCDDEQEJMYBAQ-UHFFFAOYSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-cyclopropylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
CID 97472640
2-cyclopropylsulfonyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 155902701
(5S)-2-ethylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 97450240
9-pyrimidin-2-yl-2-thiophen-2-ylsulfonyl-2,9-diazaspiro[4.5]decane
CID 131655186
(5R)-2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
CID 97370560
2-pyrimidin-2-yl-2-azaspiro[3.3]heptane
CID 118413240
7-cyclopropylsulfonyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 118744789
(5S)-9-(cyclopropylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 95715641
9-cyclopropylsulfonyl-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecane
CID 97450461
morpholin-4-yl-[(5S)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97450246
2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane
CID 97369995
(6S)-8-cyclopropylsulfonyl-4-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97398458

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
The IUPAC name of 2-cyclopropylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane (CID 118744483) is 2-cyclopropylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 2-cyclopropylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 2-cyclopropylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane is O=S(=O)(C1CC1)N1CCC2(CCCN(c3ncccn3)C2)C1.
What is the InChIKey of 2-cyclopropylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
The InChIKey is YKCDDEQEJMYBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c20-22(21,13-3-4-13)19-10-6-15(12-19)5-1-9-18(11-15)14-16-7-2-8-17-14/h2,7-8,13H,1,3-6,9-12H2.
What are the key properties of 2-cyclopropylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
2-cyclopropylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane has a molecular weight of 322.43 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 118744483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).