4-[(6S)-2-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine

C16H26N4O3S — CID 170738148

IUPAC4-[(6S)-2-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine
SMILESCc1cc(S(=O)(=O)N2CC3(CC[C@H](N4CCOCC4)C3)C2)n(C)n1
InChIInChI=1S/C16H26N4O3S/c1-13-9-15(18(2)17-13)24(21,22)20-11-16(12-20)4-3-14(10-16)19-5-7-23-8-6-19/h9,14H,3-8,10-12H2,1-2H3/t14-/m0/s1
InChIKeyFDMRXEQTGBRRBU-AWEZNQCLSA-N
MW354.48 g/mol
LogP0.60
Rot. Bonds3

About 4-[(6S)-2-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine

4-[(6S)-2-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine (PubChem CID 170738148) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is 4-[(6S)-2-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine.

Molecular Properties

Compound Name4-[(6S)-2-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine
PubChem CID170738148
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name4-[(6S)-2-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine
SMILESCc1cc(S(=O)(=O)N2CC3(CC[C@H](N4CCOCC4)C3)C2)n(C)n1
InChIInChI=1S/C16H26N4O3S/c1-13-9-15(18(2)17-13)24(21,22)20-11-16(12-20)4-3-14(10-16)19-5-7-23-8-6-19/h9,14H,3-8,10-12H2,1-2H3/t14-/m0/s1
InChIKeyFDMRXEQTGBRRBU-AWEZNQCLSA-N
XLogP0.60
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(6S)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine
CID 174173548
4-[(6R)-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine
CID 174173595
4-[2-(2,4,6-trimethylphenyl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine
CID 170738076
4-[8-(2,5-dimethylpyrazol-3-yl)sulfanyl-8-azaspiro[4.5]decan-3-yl]morpholine
CID 170119577
2-[2-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-azaspiro[3.3]heptan-6-yl]acetic acid
CID 166290619
6-[7-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane
CID 169144006
5-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-(oxan-4-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 169411774
7-(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-N-(oxan-4-yl)-7-azaspiro[3.5]nonan-2-amine
CID 169143924
3-[7-(2,5-dimethylpyrazol-3-yl)sulfonyl-7-azaspiro[3.5]nonan-2-yl]-2-oxa-6-azaspiro[3.3]heptane
CID 176884219
[8-(2,5-dimethylpyrazol-3-yl)sulfonyl-3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl] 2,2,2-trifluoroacetate
CID 169144016
[(4aS,6S,8aR)-8a-(methoxymethyl)-6-morpholin-4-yl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-2-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 133131848
[(4aR,6R,8aS)-8a-(methoxymethyl)-6-morpholin-4-yl-1,3,4,4a,5,6,7,8-octahydroisoquinolin-2-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 70710264

Frequently Asked Questions

What is the IUPAC name of 4-[(6S)-2-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine?
The IUPAC name of 4-[(6S)-2-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine (CID 170738148) is 4-[(6S)-2-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine.
What is the SMILES notation for 4-[(6S)-2-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine?
The canonical SMILES for 4-[(6S)-2-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine is Cc1cc(S(=O)(=O)N2CC3(CC[C@H](N4CCOCC4)C3)C2)n(C)n1.
What is the InChIKey of 4-[(6S)-2-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine?
The InChIKey is FDMRXEQTGBRRBU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-13-9-15(18(2)17-13)24(21,22)20-11-16(12-20)4-3-14(10-16)19-5-7-23-8-6-19/h9,14H,3-8,10-12H2,1-2H3/t14-/m0/s1.
What are the key properties of 4-[(6S)-2-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine?
4-[(6S)-2-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine has a molecular weight of 354.48 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6S)-2-(2,5-dimethylpyrazol-3-yl)sulfonyl-2-azaspiro[3.4]octan-6-yl]morpholine is sourced from PubChem (CID 170738148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).