N-[2-(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclopropanesulfonamide

C15H22N4O3S — CID 133140635

IUPACN-[2-(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCCC1CCOC12CN(c1ncccn1)C2)C1CC1
InChIInChI=1S/C15H22N4O3S/c20-23(21,13-2-3-13)18-8-4-12-5-9-22-15(12)10-19(11-15)14-16-6-1-7-17-14/h1,6-7,12-13,18H,2-5,8-11H2
InChIKeyZDFBUVBCIMUGBZ-UHFFFAOYSA-N
MW338.43 g/mol
LogP0.54
Rot. Bonds6

About N-[2-(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclopropanesulfonamide

N-[2-(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclopropanesulfonamide (PubChem CID 133140635) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[2-(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclopropanesulfonamide
PubChem CID133140635
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC NameN-[2-(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCCC1CCOC12CN(c1ncccn1)C2)C1CC1
InChIInChI=1S/C15H22N4O3S/c20-23(21,13-2-3-13)18-8-4-12-5-9-22-15(12)10-19(11-15)14-16-6-1-7-17-14/h1,6-7,12-13,18H,2-5,8-11H2
InChIKeyZDFBUVBCIMUGBZ-UHFFFAOYSA-N
XLogP0.54
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
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

Analyze N-[2-(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclopropanesulfonamide with MolForge

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Related Compounds

N-[[(7S)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]cyclopropanesulfonamide
CID 124779919
(8R)-2-cyclopropylsulfonyl-8-(2-pyridin-3-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124779502
N-[2-[2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 131645199
N-[2-[(8R)-2-(1-methylimidazol-4-yl)sulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridin-2-amine
CID 124810752
N-[2-[2-(furan-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 133140449
N-[2-[(8R)-2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]methanesulfonamide
CID 124781701
N,N-dimethyl-6-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine
CID 131657828
(8S)-N,N-dimethyl-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide
CID 124802522
2-cyclopentyl-1-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 131653410
2-cyclopropylsulfonyl-8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 155851762
N-[2-[(8S)-2-[(1-methylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]ethanesulfonamide
CID 124821883
1-[2-[(8S)-2-cyclopropylsulfonyl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one
CID 124812870

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclopropanesulfonamide (CID 133140635) is N-[2-(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclopropanesulfonamide is O=S(=O)(NCCC1CCOC12CN(c1ncccn1)C2)C1CC1.
What is the InChIKey of N-[2-(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclopropanesulfonamide?
The InChIKey is ZDFBUVBCIMUGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c20-23(21,13-2-3-13)18-8-4-12-5-9-22-15(12)10-19(11-15)14-16-6-1-7-17-14/h1,6-7,12-13,18H,2-5,8-11H2.
What are the key properties of N-[2-(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclopropanesulfonamide?
N-[2-(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclopropanesulfonamide has a molecular weight of 338.43 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 133140635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).