3-(5-fluoropyrimidin-2-yl)-11-methylsulfonyl-8-oxa-3,11-diazaspiro[5.6]dodecane

C14H21FN4O3S — CID 97399510

IUPAC3-(5-fluoropyrimidin-2-yl)-11-methylsulfonyl-8-oxa-3,11-diazaspiro[5.6]dodecane
SMILESCS(=O)(=O)N1CCOCC2(CCN(c3ncc(F)cn3)CC2)C1
InChIInChI=1S/C14H21FN4O3S/c1-23(20,21)19-6-7-22-11-14(10-19)2-4-18(5-3-14)13-16-8-12(15)9-17-13/h8-9H,2-7,10-11H2,1H3
InChIKeySRDZNRRQWCJMEO-UHFFFAOYSA-N
MW344.41 g/mol
LogP0.49
Rot. Bonds2

About 3-(5-fluoropyrimidin-2-yl)-11-methylsulfonyl-8-oxa-3,11-diazaspiro[5.6]dodecane

3-(5-fluoropyrimidin-2-yl)-11-methylsulfonyl-8-oxa-3,11-diazaspiro[5.6]dodecane (PubChem CID 97399510) has the molecular formula C14H21FN4O3S and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-(5-fluoropyrimidin-2-yl)-11-methylsulfonyl-8-oxa-3,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name3-(5-fluoropyrimidin-2-yl)-11-methylsulfonyl-8-oxa-3,11-diazaspiro[5.6]dodecane
PubChem CID97399510
Molecular FormulaC14H21FN4O3S
Molecular Weight344.41 g/mol
Exact Mass344.13
IUPAC Name3-(5-fluoropyrimidin-2-yl)-11-methylsulfonyl-8-oxa-3,11-diazaspiro[5.6]dodecane
SMILESCS(=O)(=O)N1CCOCC2(CCN(c3ncc(F)cn3)CC2)C1
InChIInChI=1S/C14H21FN4O3S/c1-23(20,21)19-6-7-22-11-14(10-19)2-4-18(5-3-14)13-16-8-12(15)9-17-13/h8-9H,2-7,10-11H2,1H3
InChIKeySRDZNRRQWCJMEO-UHFFFAOYSA-N
XLogP0.49
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(5-fluoropyrimidin-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecan-11-yl]-N,N-dimethylacetamide
CID 97399410
3-(5-Methylpyrimidin-2-yl)-11-propan-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane
CID 97502549
8-(5-Fluoropyrimidin-2-yl)-4-propylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118739085
8-(5-Fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118739111
4-Ethylsulfonyl-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118739113
4-Cyclopropylsulfonyl-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131650300
2-[(3S)-1-ethylsulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine
CID 129524224
[1-(5-Fluoro-2-pyrimidinyl)-4-piperidinyl]methyl methanesulfonate
CID 86638746
(+/-)-1-[1-(5-Fluoro-2-pyrimidinyl)-4-piperidinyl]ethyl methanesulfonate
CID 86638748
(3R,5S)-1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide
CID 122701506
(3S,5S)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide
CID 122701546
(3R,5S)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide
CID 122701694

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoropyrimidin-2-yl)-11-methylsulfonyl-8-oxa-3,11-diazaspiro[5.6]dodecane?
The IUPAC name of 3-(5-fluoropyrimidin-2-yl)-11-methylsulfonyl-8-oxa-3,11-diazaspiro[5.6]dodecane (CID 97399510) is 3-(5-fluoropyrimidin-2-yl)-11-methylsulfonyl-8-oxa-3,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 3-(5-fluoropyrimidin-2-yl)-11-methylsulfonyl-8-oxa-3,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 3-(5-fluoropyrimidin-2-yl)-11-methylsulfonyl-8-oxa-3,11-diazaspiro[5.6]dodecane is CS(=O)(=O)N1CCOCC2(CCN(c3ncc(F)cn3)CC2)C1.
What is the InChIKey of 3-(5-fluoropyrimidin-2-yl)-11-methylsulfonyl-8-oxa-3,11-diazaspiro[5.6]dodecane?
The InChIKey is SRDZNRRQWCJMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O3S/c1-23(20,21)19-6-7-22-11-14(10-19)2-4-18(5-3-14)13-16-8-12(15)9-17-13/h8-9H,2-7,10-11H2,1H3.
What are the key properties of 3-(5-fluoropyrimidin-2-yl)-11-methylsulfonyl-8-oxa-3,11-diazaspiro[5.6]dodecane?
3-(5-fluoropyrimidin-2-yl)-11-methylsulfonyl-8-oxa-3,11-diazaspiro[5.6]dodecane has a molecular weight of 344.41 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoropyrimidin-2-yl)-11-methylsulfonyl-8-oxa-3,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 97399510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).