N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]ethanesulfonamide

C15H23FN4O3S — CID 97483405

IUPACN-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H]1COCCC12CCN(c1ncc(F)cn1)CC2
InChIInChI=1S/C15H23FN4O3S/c1-2-24(21,22)19-13-11-23-8-5-15(13)3-6-20(7-4-15)14-17-9-12(16)10-18-14/h9-10,13,19H,2-8,11H2,1H3/t13-/m1/s1
InChIKeyDHOMZAACXKWNMR-CYBMUJFWSA-N
MW358.44 g/mol
LogP0.93
Rot. Bonds4

About N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]ethanesulfonamide

N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]ethanesulfonamide (PubChem CID 97483405) has the molecular formula C15H23FN4O3S and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]ethanesulfonamide
PubChem CID97483405
Molecular FormulaC15H23FN4O3S
Molecular Weight358.44 g/mol
Exact Mass358.15
IUPAC NameN-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H]1COCCC12CCN(c1ncc(F)cn1)CC2
InChIInChI=1S/C15H23FN4O3S/c1-2-24(21,22)19-13-11-23-8-5-15(13)3-6-20(7-4-15)14-17-9-12(16)10-18-14/h9-10,13,19H,2-8,11H2,1H3/t13-/m1/s1
InChIKeyDHOMZAACXKWNMR-CYBMUJFWSA-N
XLogP0.93
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]ethanesulfonamide with MolForge

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Related Compounds

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
N-[[(3S,3aR,7aR)-5-(5-fluoropyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]methanesulfonamide
CID 97459971
(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
(3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide
CID 122701850
(3S,5R)-1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide
CID 122702007
(3S,5R)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide
CID 122702424
(3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide
CID 122702484

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]ethanesulfonamide?
The IUPAC name of N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]ethanesulfonamide (CID 97483405) is N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]ethanesulfonamide.
What is the SMILES notation for N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]ethanesulfonamide?
The canonical SMILES for N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]ethanesulfonamide is CCS(=O)(=O)N[C@@H]1COCCC12CCN(c1ncc(F)cn1)CC2.
What is the InChIKey of N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]ethanesulfonamide?
The InChIKey is DHOMZAACXKWNMR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23FN4O3S/c1-2-24(21,22)19-13-11-23-8-5-15(13)3-6-20(7-4-15)14-17-9-12(16)10-18-14/h9-10,13,19H,2-8,11H2,1H3/t13-/m1/s1.
What are the key properties of N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]ethanesulfonamide?
N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]ethanesulfonamide has a molecular weight of 358.44 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]ethanesulfonamide is sourced from PubChem (CID 97483405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).