7-(1-methylimidazol-4-yl)sulfonyl-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane

C16H27N3O3S — CID 97451264

IUPAC7-(1-methylimidazol-4-yl)sulfonyl-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane
SMILESCC(C)COC1CC2(CCN(S(=O)(=O)c3cn(C)cn3)CC2)C1
InChIInChI=1S/C16H27N3O3S/c1-13(2)11-22-14-8-16(9-14)4-6-19(7-5-16)23(20,21)15-10-18(3)12-17-15/h10,12-14H,4-9,11H2,1-3H3
InChIKeyDOWJHWSXQSBIMK-UHFFFAOYSA-N
MW341.48 g/mol
LogP2.03
Rot. Bonds5

About 7-(1-methylimidazol-4-yl)sulfonyl-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane

7-(1-methylimidazol-4-yl)sulfonyl-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane (PubChem CID 97451264) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is 7-(1-methylimidazol-4-yl)sulfonyl-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(1-methylimidazol-4-yl)sulfonyl-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane
PubChem CID97451264
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Name7-(1-methylimidazol-4-yl)sulfonyl-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane
SMILESCC(C)COC1CC2(CCN(S(=O)(=O)c3cn(C)cn3)CC2)C1
InChIInChI=1S/C16H27N3O3S/c1-13(2)11-22-14-8-16(9-14)4-6-19(7-5-16)23(20,21)15-10-18(3)12-17-15/h10,12-14H,4-9,11H2,1-3H3
InChIKeyDOWJHWSXQSBIMK-UHFFFAOYSA-N
XLogP2.03
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-{4-(methoxymethyl)-8-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-2,8-diazaspiro[4.5]dec-2-yl}-1-ethanone
CID 91922164
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
1-[2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl]-N,N-dimethylmethanamine
CID 87053409
4-methoxy-1-oxa-9-azaspiro[5.5]undec-9-yl (1-methyl-1H-imidazol-4-yl) sulfone
CID 91907685
4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undec-9-yl (1-methyl-1H-imidazol-4-yl) sulfone
CID 91917997
4-(2-Methoxyethoxy)-9-(1-methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane
CID 91918124
9-(1-Methylimidazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane
CID 110203882
N,N-dimethyl-7-(1-methylimidazol-4-yl)sulfonyl-7-azaspiro[3.5]nonan-2-amine
CID 97451156
2-(1,2-Dimethylimidazol-4-yl)sulfonyl-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane
CID 128775403
(5R)-2-(1,2-dimethylimidazol-4-yl)sulfonyl-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane
CID 129347144
(5S)-2-(1,2-dimethylimidazol-4-yl)sulfonyl-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane
CID 129347145

Frequently Asked Questions

What is the IUPAC name of 7-(1-methylimidazol-4-yl)sulfonyl-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane?
The IUPAC name of 7-(1-methylimidazol-4-yl)sulfonyl-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane (CID 97451264) is 7-(1-methylimidazol-4-yl)sulfonyl-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-(1-methylimidazol-4-yl)sulfonyl-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-(1-methylimidazol-4-yl)sulfonyl-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane is CC(C)COC1CC2(CCN(S(=O)(=O)c3cn(C)cn3)CC2)C1.
What is the InChIKey of 7-(1-methylimidazol-4-yl)sulfonyl-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane?
The InChIKey is DOWJHWSXQSBIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-13(2)11-22-14-8-16(9-14)4-6-19(7-5-16)23(20,21)15-10-18(3)12-17-15/h10,12-14H,4-9,11H2,1-3H3.
What are the key properties of 7-(1-methylimidazol-4-yl)sulfonyl-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane?
7-(1-methylimidazol-4-yl)sulfonyl-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane has a molecular weight of 341.48 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylimidazol-4-yl)sulfonyl-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane is sourced from PubChem (CID 97451264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).