N-[[(7S)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide

C15H22N4O3S — CID 124779919

IUPACN-[[(7S)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NC[C@@H]1CCC2(CN(c3ncccn3)C2)OC1)C1CC1
InChIInChI=1S/C15H22N4O3S/c20-23(21,13-2-3-13)18-8-12-4-5-15(22-9-12)10-19(11-15)14-16-6-1-7-17-14/h1,6-7,12-13,18H,2-5,8-11H2/t12-/m0/s1
InChIKeyUSHQMHSOPYLGQY-LBPRGKRZSA-N
MW338.43 g/mol
LogP0.54
Rot. Bonds5

About N-[[(7S)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide

N-[[(7S)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide (PubChem CID 124779919) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[[(7S)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[(7S)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide
PubChem CID124779919
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC NameN-[[(7S)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NC[C@@H]1CCC2(CN(c3ncccn3)C2)OC1)C1CC1
InChIInChI=1S/C15H22N4O3S/c20-23(21,13-2-3-13)18-8-12-4-5-15(22-9-12)10-19(11-15)14-16-6-1-7-17-14/h1,6-7,12-13,18H,2-5,8-11H2/t12-/m0/s1
InChIKeyUSHQMHSOPYLGQY-LBPRGKRZSA-N
XLogP0.54
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(7S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide
CID 124779784
N-[[(7S)-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide
CID 124779262
(7R)-2-pyrimidin-2-yl-7-(pyrrolidin-1-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124805168
N-[[(7S)-2-(pyridine-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide
CID 124783221
N-[[(7S)-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide
CID 124895976
N-[2-(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclopropanesulfonamide
CID 133140635
N-[[2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 171692919
6-pyrimidin-2-yl-1-oxa-6-azaspiro[3.3]heptane
CID 130685819
N-[[(7R)-2-(oxan-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine
CID 124808874
N-[[(7R)-2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrimidin-2-amine
CID 124815703
N-[[2-[(4-ethylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]methanesulfonamide
CID 131677615
N-[[2-[(4-fluorophenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]ethanesulfonamide
CID 131677501

Frequently Asked Questions

What is the IUPAC name of N-[[(7S)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[(7S)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide (CID 124779919) is N-[[(7S)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[(7S)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[(7S)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide is O=S(=O)(NC[C@@H]1CCC2(CN(c3ncccn3)C2)OC1)C1CC1.
What is the InChIKey of N-[[(7S)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide?
The InChIKey is USHQMHSOPYLGQY-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N4O3S/c20-23(21,13-2-3-13)18-8-12-4-5-15(22-9-12)10-19(11-15)14-16-6-1-7-17-14/h1,6-7,12-13,18H,2-5,8-11H2/t12-/m0/s1.
What are the key properties of N-[[(7S)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide?
N-[[(7S)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide has a molecular weight of 338.43 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(7S)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 124779919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).