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

C14H21FN4O3S — CID 97483403

IUPACN-[(5R)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1COCCC12CCN(c1ncc(F)cn1)CC2
InChIInChI=1S/C14H21FN4O3S/c1-23(20,21)18-12-10-22-7-4-14(12)2-5-19(6-3-14)13-16-8-11(15)9-17-13/h8-9,12,18H,2-7,10H2,1H3/t12-/m0/s1
InChIKeyASRGYGNCVRWJDV-LBPRGKRZSA-N
MW344.41 g/mol
LogP0.54
Rot. Bonds3

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

N-[(5R)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide (PubChem CID 97483403) has the molecular formula C14H21FN4O3S and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[(5R)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(5R)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide
PubChem CID97483403
Molecular FormulaC14H21FN4O3S
Molecular Weight344.41 g/mol
Exact Mass344.13
IUPAC NameN-[(5R)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1COCCC12CCN(c1ncc(F)cn1)CC2
InChIInChI=1S/C14H21FN4O3S/c1-23(20,21)18-12-10-22-7-4-14(12)2-5-19(6-3-14)13-16-8-11(15)9-17-13/h8-9,12,18H,2-7,10H2,1H3/t12-/m0/s1
InChIKeyASRGYGNCVRWJDV-LBPRGKRZSA-N
XLogP0.54
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5R)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide 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
N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]methanesulfonamide
CID 118739186
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
N-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide
CID 126568334
2-Ethoxy-1-(5-fluoropyrimidin-2-yl)piperidine-3-sulfonamide
CID 140893445
2-[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]ethyl methanesulfonate
CID 177734983
4-(5-Fluoropyrimidin-2-yl)-9-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97372305
3-(5-Fluoropyrimidin-2-yl)-11-methylsulfonyl-8-oxa-3,11-diazaspiro[5.6]dodecane
CID 97399510
(3S)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 97474221
(3R)-8-(5-fluoropyrimidin-2-yl)-3-(methoxymethyl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 97474222

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide?
The IUPAC name of N-[(5R)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide (CID 97483403) is N-[(5R)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide.
What is the SMILES notation for N-[(5R)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide?
The canonical SMILES for N-[(5R)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1COCCC12CCN(c1ncc(F)cn1)CC2.
What is the InChIKey of N-[(5R)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide?
The InChIKey is ASRGYGNCVRWJDV-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21FN4O3S/c1-23(20,21)18-12-10-22-7-4-14(12)2-5-19(6-3-14)13-16-8-11(15)9-17-13/h8-9,12,18H,2-7,10H2,1H3/t12-/m0/s1.
What are the key properties of N-[(5R)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide?
N-[(5R)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide has a molecular weight of 344.41 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecan-5-yl]methanesulfonamide is sourced from PubChem (CID 97483403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).