1-cyclopropylsulfonyl-7-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane

C14H20N4O2S — CID 134077518

IUPAC1-cyclopropylsulfonyl-7-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane
SMILESO=S(=O)(C1CC1)N1CCC12CCN(c1ncccn1)CC2
InChIInChI=1S/C14H20N4O2S/c19-21(20,12-2-3-12)18-11-6-14(18)4-9-17(10-5-14)13-15-7-1-8-16-13/h1,7-8,12H,2-6,9-11H2
InChIKeyZFNQAXFFSPOOFG-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.01
Rot. Bonds3

About 1-cyclopropylsulfonyl-7-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane

1-cyclopropylsulfonyl-7-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane (PubChem CID 134077518) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-7-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-7-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane
PubChem CID134077518
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name1-cyclopropylsulfonyl-7-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane
SMILESO=S(=O)(C1CC1)N1CCC12CCN(c1ncccn1)CC2
InChIInChI=1S/C14H20N4O2S/c19-21(20,12-2-3-12)18-11-6-14(18)4-9-17(10-5-14)13-15-7-1-8-16-13/h1,7-8,12H,2-6,9-11H2
InChIKeyZFNQAXFFSPOOFG-UHFFFAOYSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(Methylsulfonyl)-2-(pyrimidin-2-yl)-2,9-diazaspiro[5.5]undecane
CID 3232716
7-Methylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane
CID 3233832
(5S)-7-methylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
CID 3235014
7-Cyclopropylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
CID 97472640
2-Cyclopropylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 118744483
US11414402, Example 29
CID 137352967
2-[4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]piperidin-1-yl]pyrimidine
CID 26391186
2-[4-[(3R)-1-prop-2-enylsulfonylpyrrolidin-3-yl]piperidin-1-yl]pyrimidine
CID 42402753
1-(3-methyloxetan-3-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)methanesulfonamide
CID 86804995
7-(5-Fluoropyrimidin-2-yl)-1-methylsulfonyl-1,7-diazaspiro[3.5]nonane
CID 97399248
(5R)-7-cyclopropylsulfonyl-10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
CID 97502406
(5S)-7-cyclopropylsulfonyl-10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
CID 97502407

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-7-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane?
The IUPAC name of 1-cyclopropylsulfonyl-7-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane (CID 134077518) is 1-cyclopropylsulfonyl-7-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 1-cyclopropylsulfonyl-7-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane?
The canonical SMILES for 1-cyclopropylsulfonyl-7-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane is O=S(=O)(C1CC1)N1CCC12CCN(c1ncccn1)CC2.
What is the InChIKey of 1-cyclopropylsulfonyl-7-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane?
The InChIKey is ZFNQAXFFSPOOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c19-21(20,12-2-3-12)18-11-6-14(18)4-9-17(10-5-14)13-15-7-1-8-16-13/h1,7-8,12H,2-6,9-11H2.
What are the key properties of 1-cyclopropylsulfonyl-7-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane?
1-cyclopropylsulfonyl-7-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane has a molecular weight of 308.41 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-7-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 134077518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).