9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane

C13H21N3O3S — CID 110203882

IUPAC9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane
SMILESCn1cnc(S(=O)(=O)N2CCC3(CCCCO3)CC2)c1
InChIInChI=1S/C13H21N3O3S/c1-15-10-12(14-11-15)20(17,18)16-7-5-13(6-8-16)4-2-3-9-19-13/h10-11H,2-9H2,1H3
InChIKeyNXDGEPFACCXKAB-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.14
Rot. Bonds2

About 9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane

9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 110203882) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane
PubChem CID110203882
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane
SMILESCn1cnc(S(=O)(=O)N2CCC3(CCCCO3)CC2)c1
InChIInChI=1S/C13H21N3O3S/c1-15-10-12(14-11-15)20(17,18)16-7-5-13(6-8-16)4-2-3-9-19-13/h10-11H,2-9H2,1H3
InChIKeyNXDGEPFACCXKAB-UHFFFAOYSA-N
XLogP1.14
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxyethoxy)-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidine
CID 91907781
(4R,5R)-9-(1-methylimidazol-4-yl)sulfonyl-4-(propan-2-yloxymethyl)-6-oxa-9-azaspiro[4.5]decane
CID 97451872
(4S,5R)-4-(methoxymethyl)-9-(1-methylimidazol-4-yl)sulfonyl-6-oxa-9-azaspiro[4.5]decane
CID 97452424
(4S,5R)-4-(ethoxymethyl)-9-(1-methylimidazol-4-yl)sulfonyl-6-oxa-9-azaspiro[4.5]decane
CID 97452436
3-(Methoxymethyl)-2-(1-methylimidazol-4-yl)sulfonyl-2-azabicyclo[2.2.2]octan-4-ol
CID 118738571
N,1-Dimethyl-N-[(4-methyltetrahydro-2H-pyran-4-YL)methyl]-1H-imidazole-4-sulfonamide
CID 71686948
N,1,2-trimethyl-N-[(4-methyloxan-4-yl)methyl]imidazole-4-sulfonamide
CID 71686954
4-methoxy-1-oxa-9-azaspiro[5.5]undec-9-yl (1-methyl-1H-imidazol-4-yl) sulfone
CID 91907685
4-(2-ethoxyethoxy)-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidine
CID 91907796
1-methyl-1H-imidazol-4-yl [4-(4-methylpiperazino)-1-oxa-9-azaspiro[5.5]undec-9-yl] sulfone
CID 91908299
9-[(1-Methyl-1H-imidazol-4-YL)sulfonyl]-4-[4-(propan-2-YL)piperazin-1-YL]-1-oxa-9-azaspiro[5.5]undecane
CID 91912121
4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undec-9-yl (1-methyl-1H-imidazol-4-yl) sulfone
CID 91917997

Frequently Asked Questions

What is the IUPAC name of 9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane (CID 110203882) is 9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane is Cn1cnc(S(=O)(=O)N2CCC3(CCCCO3)CC2)c1.
What is the InChIKey of 9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is NXDGEPFACCXKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-15-10-12(14-11-15)20(17,18)16-7-5-13(6-8-16)4-2-3-9-19-13/h10-11H,2-9H2,1H3.
What are the key properties of 9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane?
9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 299.40 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 110203882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).