7-(1-methylimidazol-4-yl)sulfonyl-9-(2-methylpropyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane

C14H24N4O3S — CID 134071805

IUPAC7-(1-methylimidazol-4-yl)sulfonyl-9-(2-methylpropyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane
SMILESCC(C)CN1C2COCC1CN(S(=O)(=O)c1cn(C)cn1)C2
InChIInChI=1S/C14H24N4O3S/c1-11(2)4-18-12-5-17(6-13(18)9-21-8-12)22(19,20)14-7-16(3)10-15-14/h7,10-13H,4-6,8-9H2,1-3H3
InChIKeyVWTOMUWDQQVRCB-UHFFFAOYSA-N
MW328.44 g/mol
LogP0.15
Rot. Bonds4

About 7-(1-methylimidazol-4-yl)sulfonyl-9-(2-methylpropyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane

7-(1-methylimidazol-4-yl)sulfonyl-9-(2-methylpropyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane (PubChem CID 134071805) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is 7-(1-methylimidazol-4-yl)sulfonyl-9-(2-methylpropyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name7-(1-methylimidazol-4-yl)sulfonyl-9-(2-methylpropyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane
PubChem CID134071805
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC Name7-(1-methylimidazol-4-yl)sulfonyl-9-(2-methylpropyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane
SMILESCC(C)CN1C2COCC1CN(S(=O)(=O)c1cn(C)cn1)C2
InChIInChI=1S/C14H24N4O3S/c1-11(2)4-18-12-5-17(6-13(18)9-21-8-12)22(19,20)14-7-16(3)10-15-14/h7,10-13H,4-6,8-9H2,1-3H3
InChIKeyVWTOMUWDQQVRCB-UHFFFAOYSA-N
XLogP0.15
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(1-methylimidazol-4-yl)sulfonyl-9-(2-methylpropyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane with MolForge

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Related Compounds

1H-Imidazole-5-sulfonamide, 1-methyl-N-(3-(4-morpholinyl)propyl)-, monohydrochloride
CID 3071466
Morpholinium, 4-methyl-4-(3-(((1-methyl-1H-imidazol-4-yl)sulfonyl)amino)propyl)-, iodide
CID 3071468
1H-Imidazole-4-sulfonamide, 1-methyl-N-(3-(4-morpholinyl)propyl)-
CID 3071470
1H-Imidazole-4-sulfonamide, 1-methyl-N-(3-(4-morpholinyl)propyl)-, monohydrochloride
CID 3078101
1H-Imidazole-4-sulfonamide, 1-methyl-N-(2-methyl-3-(4-morpholinyl)propyl)-, monohydrochloride
CID 3071450
1H-Imidazole-4-sulfonamide, 1-methyl-N-(4-(4-morpholinyl)butyl)-, monohydrochloride
CID 3078102
1-(1-methylimidazol-4-yl)sulfonyl-N-(2-methylpropyl)-N-(oxan-4-yl)azetidin-3-amine
CID 91920583
1-methyl-N-(2-methyl-3-morpholin-4-ylpropyl)imidazole-4-sulfonamide
CID 3071451
3-methyl-N-(3-morpholin-4-ylpropyl)imidazole-4-sulfonamide
CID 3071467
1-methyl-N-(4-morpholin-4-ylbutyl)imidazole-4-sulfonamide
CID 3078103
4-(1,2-Dimethyl-1H-imidazole-4-sulfonyl)morpholine
CID 62492168
1-methyl-N-[3-(4-methylmorpholin-4-ium-4-yl)propyl]imidazole-4-sulfonamide
CID 3071469

Frequently Asked Questions

What is the IUPAC name of 7-(1-methylimidazol-4-yl)sulfonyl-9-(2-methylpropyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
The IUPAC name of 7-(1-methylimidazol-4-yl)sulfonyl-9-(2-methylpropyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane (CID 134071805) is 7-(1-methylimidazol-4-yl)sulfonyl-9-(2-methylpropyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 7-(1-methylimidazol-4-yl)sulfonyl-9-(2-methylpropyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 7-(1-methylimidazol-4-yl)sulfonyl-9-(2-methylpropyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane is CC(C)CN1C2COCC1CN(S(=O)(=O)c1cn(C)cn1)C2.
What is the InChIKey of 7-(1-methylimidazol-4-yl)sulfonyl-9-(2-methylpropyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
The InChIKey is VWTOMUWDQQVRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-11(2)4-18-12-5-17(6-13(18)9-21-8-12)22(19,20)14-7-16(3)10-15-14/h7,10-13H,4-6,8-9H2,1-3H3.
What are the key properties of 7-(1-methylimidazol-4-yl)sulfonyl-9-(2-methylpropyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
7-(1-methylimidazol-4-yl)sulfonyl-9-(2-methylpropyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane has a molecular weight of 328.44 g/mol, XLogP of 0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylimidazol-4-yl)sulfonyl-9-(2-methylpropyl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 134071805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).