N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide

C16H19N3O3S — CID 154769758

IUPACN-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESO=S(=O)(Cc1ccon1)NC1[C@H]2CN(Cc3ccccc3)C[C@@H]12
InChIInChI=1S/C16H19N3O3S/c20-23(21,11-13-6-7-22-17-13)18-16-14-9-19(10-15(14)16)8-12-4-2-1-3-5-12/h1-7,14-16,18H,8-11H2/t14-,15+,16?
InChIKeyVQNXWJGCQRYMMT-XYPWUTKMSA-N
MW333.41 g/mol
LogP1.22
Rot. Bonds6

About N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide

N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 154769758) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide
PubChem CID154769758
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESO=S(=O)(Cc1ccon1)NC1[C@H]2CN(Cc3ccccc3)C[C@@H]12
InChIInChI=1S/C16H19N3O3S/c20-23(21,11-13-6-7-22-17-13)18-16-14-9-19(10-15(14)16)8-12-4-2-1-3-5-12/h1-7,14-16,18H,8-11H2/t14-,15+,16?
InChIKeyVQNXWJGCQRYMMT-XYPWUTKMSA-N
XLogP1.22
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide (CID 154769758) is N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide is O=S(=O)(Cc1ccon1)NC1[C@H]2CN(Cc3ccccc3)C[C@@H]12.
What is the InChIKey of N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is VQNXWJGCQRYMMT-XYPWUTKMSA-N. The full InChI is InChI=1S/C16H19N3O3S/c20-23(21,11-13-6-7-22-17-13)18-16-14-9-19(10-15(14)16)8-12-4-2-1-3-5-12/h1-7,14-16,18H,8-11H2/t14-,15+,16?.
What are the key properties of N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 333.41 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 154769758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).