7-cyclopropylsulfonyl-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane

C15H20F2N4O2S — CID 131651713

IUPAC7-cyclopropylsulfonyl-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane
SMILESO=S(=O)(C1CC1)N1CCC(F)(F)C2(CCN(c3cnccn3)C2)C1
InChIInChI=1S/C15H20F2N4O2S/c16-15(17)4-8-21(24(22,23)12-1-2-12)11-14(15)3-7-20(10-14)13-9-18-5-6-19-13/h5-6,9,12H,1-4,7-8,10-11H2
InChIKeyNFOOCKMBZHCQPV-UHFFFAOYSA-N
MW358.41 g/mol
LogP1.51
Rot. Bonds3

About 7-cyclopropylsulfonyl-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane

7-cyclopropylsulfonyl-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane (PubChem CID 131651713) has the molecular formula C15H20F2N4O2S and a molecular weight of 358.41 g/mol. Its IUPAC name is 7-cyclopropylsulfonyl-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name7-cyclopropylsulfonyl-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane
PubChem CID131651713
Molecular FormulaC15H20F2N4O2S
Molecular Weight358.41 g/mol
Exact Mass358.13
IUPAC Name7-cyclopropylsulfonyl-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane
SMILESO=S(=O)(C1CC1)N1CCC(F)(F)C2(CCN(c3cnccn3)C2)C1
InChIInChI=1S/C15H20F2N4O2S/c16-15(17)4-8-21(24(22,23)12-1-2-12)11-14(15)3-7-20(10-14)13-9-18-5-6-19-13/h5-6,9,12H,1-4,7-8,10-11H2
InChIKeyNFOOCKMBZHCQPV-UHFFFAOYSA-N
XLogP1.51
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155834003
(5R)-6,6-difluoro-2-pyrazin-2-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 97374447
(3-chlorophenyl)-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone
CID 155871914
6,6-difluoro-9-[(5-methylfuran-2-yl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 171697250
2-cyclopropylsulfonyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 155902701
7-cyclopropylsulfonyl-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
CID 97472640
(5S)-6,6-difluoro-2-pyridin-2-yl-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 97374417
2-[4-(bromomethylsulfonyl)piperazin-1-yl]pyrazine
CID 83092433
N-(1-pyrazin-2-ylpiperidin-3-yl)cyclopropanesulfonamide
CID 154829489
(5R)-9-cyclopropylsulfonyl-3-methyl-13-pyrimidin-2-yl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 97360418
2-(1-methylpyrrolidin-3-yl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
CID 86282995
(4aS,8aS)-2-propylsulfonyl-7-pyrazin-2-yl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-4a-ol
CID 72939056

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropylsulfonyl-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane?
The IUPAC name of 7-cyclopropylsulfonyl-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane (CID 131651713) is 7-cyclopropylsulfonyl-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for 7-cyclopropylsulfonyl-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane?
The canonical SMILES for 7-cyclopropylsulfonyl-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane is O=S(=O)(C1CC1)N1CCC(F)(F)C2(CCN(c3cnccn3)C2)C1.
What is the InChIKey of 7-cyclopropylsulfonyl-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane?
The InChIKey is NFOOCKMBZHCQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N4O2S/c16-15(17)4-8-21(24(22,23)12-1-2-12)11-14(15)3-7-20(10-14)13-9-18-5-6-19-13/h5-6,9,12H,1-4,7-8,10-11H2.
What are the key properties of 7-cyclopropylsulfonyl-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane?
7-cyclopropylsulfonyl-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane has a molecular weight of 358.41 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropylsulfonyl-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 131651713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).