9-cyclopropylsulfonyl-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane

C15H21FN4O3S — CID 97451029

IUPAC9-cyclopropylsulfonyl-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESO=S(=O)(C1CC1)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2
InChIInChI=1S/C15H21FN4O3S/c16-12-9-17-14(18-10-12)19-7-8-23-15(11-19)3-5-20(6-4-15)24(21,22)13-1-2-13/h9-10,13H,1-8,11H2
InChIKeyKAIVZCMQVKEIDT-UHFFFAOYSA-N
MW356.42 g/mol
LogP0.78
Rot. Bonds3

About 9-cyclopropylsulfonyl-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane

9-cyclopropylsulfonyl-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 97451029) has the molecular formula C15H21FN4O3S and a molecular weight of 356.42 g/mol. Its IUPAC name is 9-cyclopropylsulfonyl-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-cyclopropylsulfonyl-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID97451029
Molecular FormulaC15H21FN4O3S
Molecular Weight356.42 g/mol
Exact Mass356.13
IUPAC Name9-cyclopropylsulfonyl-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESO=S(=O)(C1CC1)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2
InChIInChI=1S/C15H21FN4O3S/c16-12-9-17-14(18-10-12)19-7-8-23-15(11-19)3-5-20(6-4-15)24(21,22)13-1-2-13/h9-10,13H,1-8,11H2
InChIKeyKAIVZCMQVKEIDT-UHFFFAOYSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-cyclopropylsulfonyl-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
2-[(3S)-1-ethylsulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine
CID 129524224
(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 9-cyclopropylsulfonyl-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-cyclopropylsulfonyl-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane (CID 97451029) is 9-cyclopropylsulfonyl-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-cyclopropylsulfonyl-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-cyclopropylsulfonyl-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane is O=S(=O)(C1CC1)N1CCC2(CC1)CN(c1ncc(F)cn1)CCO2.
What is the InChIKey of 9-cyclopropylsulfonyl-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is KAIVZCMQVKEIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O3S/c16-12-9-17-14(18-10-12)19-7-8-23-15(11-19)3-5-20(6-4-15)24(21,22)13-1-2-13/h9-10,13H,1-8,11H2.
What are the key properties of 9-cyclopropylsulfonyl-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane?
9-cyclopropylsulfonyl-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 356.42 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropylsulfonyl-4-(5-fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97451029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).