(1S,5R,6S)-3-(dimethylsulfamoyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide

C15H21N3O4S — CID 155544966

IUPAC(1S,5R,6S)-3-(dimethylsulfamoyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
SMILESCN(C)S(=O)(=O)N1C[C@@H]2C[C@H](C(=O)Nc3ccccc3)[C@H](C1)O2
InChIInChI=1S/C15H21N3O4S/c1-17(2)23(20,21)18-9-12-8-13(14(10-18)22-12)15(19)16-11-6-4-3-5-7-11/h3-7,12-14H,8-10H2,1-2H3,(H,16,19)/t12-,13-,14-/m0/s1
InChIKeyBTDWKUAXNARDBV-IHRRRGAJSA-N
MW339.42 g/mol
LogP0.52
Rot. Bonds4

About (1S,5R,6S)-3-(dimethylsulfamoyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide

(1S,5R,6S)-3-(dimethylsulfamoyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide (PubChem CID 155544966) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is (1S,5R,6S)-3-(dimethylsulfamoyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R,6S)-3-(dimethylsulfamoyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
PubChem CID155544966
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name(1S,5R,6S)-3-(dimethylsulfamoyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
SMILESCN(C)S(=O)(=O)N1C[C@@H]2C[C@H](C(=O)Nc3ccccc3)[C@H](C1)O2
InChIInChI=1S/C15H21N3O4S/c1-17(2)23(20,21)18-9-12-8-13(14(10-18)22-12)15(19)16-11-6-4-3-5-7-11/h3-7,12-14H,8-10H2,1-2H3,(H,16,19)/t12-,13-,14-/m0/s1
InChIKeyBTDWKUAXNARDBV-IHRRRGAJSA-N
XLogP0.52
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1S,5R,6S)-3-(dimethylsulfamoyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
The IUPAC name of (1S,5R,6S)-3-(dimethylsulfamoyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide (CID 155544966) is (1S,5R,6S)-3-(dimethylsulfamoyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide.
What is the SMILES notation for (1S,5R,6S)-3-(dimethylsulfamoyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
The canonical SMILES for (1S,5R,6S)-3-(dimethylsulfamoyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide is CN(C)S(=O)(=O)N1C[C@@H]2C[C@H](C(=O)Nc3ccccc3)[C@H](C1)O2.
What is the InChIKey of (1S,5R,6S)-3-(dimethylsulfamoyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
The InChIKey is BTDWKUAXNARDBV-IHRRRGAJSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-17(2)23(20,21)18-9-12-8-13(14(10-18)22-12)15(19)16-11-6-4-3-5-7-11/h3-7,12-14H,8-10H2,1-2H3,(H,16,19)/t12-,13-,14-/m0/s1.
What are the key properties of (1S,5R,6S)-3-(dimethylsulfamoyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide?
(1S,5R,6S)-3-(dimethylsulfamoyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6S)-3-(dimethylsulfamoyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide is sourced from PubChem (CID 155544966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).