7-cyclopropylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane

C13H18N4O2S — CID 97472640

IUPAC7-cyclopropylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
SMILESO=S(=O)(C1CC1)N1CCC2(CN(c3ncccn3)C2)C1
InChIInChI=1S/C13H18N4O2S/c18-20(19,11-2-3-11)17-7-4-13(10-17)8-16(9-13)12-14-5-1-6-15-12/h1,5-6,11H,2-4,7-10H2
InChIKeyIAERVXKFPCKUQP-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.48
Rot. Bonds3

About 7-cyclopropylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane

7-cyclopropylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane (PubChem CID 97472640) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 7-cyclopropylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name7-cyclopropylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
PubChem CID97472640
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name7-cyclopropylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
SMILESO=S(=O)(C1CC1)N1CCC2(CN(c3ncccn3)C2)C1
InChIInChI=1S/C13H18N4O2S/c18-20(19,11-2-3-11)17-7-4-13(10-17)8-16(9-13)12-14-5-1-6-15-12/h1,5-6,11H,2-4,7-10H2
InChIKeyIAERVXKFPCKUQP-UHFFFAOYSA-N
XLogP0.48
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropylsulfonyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 155902701
2-cyclopropylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 118744483
7-cyclopropylsulfonyl-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 118744789
(5R)-9-cyclopropylsulfonyl-3-methyl-13-pyrimidin-2-yl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 97360418
(5S)-2-ethylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 97450240
1-cyclopropylsulfonyl-7-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane
CID 134077518
8-cyclopropylsulfonyl-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118743446
(6S)-8-cyclopropylsulfonyl-4-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97398458
8-cyclopropylsulfonyl-4-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 118739220
2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane
CID 97369995
2-pyrimidin-2-yl-2-azaspiro[3.3]heptane
CID 118413240
9-pyrimidin-2-yl-2-thiophen-2-ylsulfonyl-2,9-diazaspiro[4.5]decane
CID 131655186

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane?
The IUPAC name of 7-cyclopropylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane (CID 97472640) is 7-cyclopropylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 7-cyclopropylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 7-cyclopropylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane is O=S(=O)(C1CC1)N1CCC2(CN(c3ncccn3)C2)C1.
What is the InChIKey of 7-cyclopropylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane?
The InChIKey is IAERVXKFPCKUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c18-20(19,11-2-3-11)17-7-4-13(10-17)8-16(9-13)12-14-5-1-6-15-12/h1,5-6,11H,2-4,7-10H2.
What are the key properties of 7-cyclopropylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane?
7-cyclopropylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane has a molecular weight of 294.38 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 97472640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).