trans-(1R,2R)-N-methyl-2-methylsulfonyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine

C18H24N2O3S — CID 129422119

IUPACtrans-(1R,2R)-N-methyl-2-methylsulfonyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine
SMILESCN(Cc1ncc(-c2ccccc2)o1)[C@@H]1CCCC[C@H]1S(C)(=O)=O
InChIInChI=1S/C18H24N2O3S/c1-20(15-10-6-7-11-17(15)24(2,21)22)13-18-19-12-16(23-18)14-8-4-3-5-9-14/h3-5,8-9,12,15,17H,6-7,10-11,13H2,1-2H3/t15-,17-/m1/s1
InChIKeyHSEFCRIEVLLIIY-NVXWUHKLSA-N
MW348.47 g/mol
LogP3.13
Rot. Bonds5

About trans-(1R,2R)-N-methyl-2-methylsulfonyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine

trans-(1R,2R)-N-methyl-2-methylsulfonyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine (PubChem CID 129422119) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is trans-(1R,2R)-N-methyl-2-methylsulfonyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-N-methyl-2-methylsulfonyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine
PubChem CID129422119
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Nametrans-(1R,2R)-N-methyl-2-methylsulfonyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine
SMILESCN(Cc1ncc(-c2ccccc2)o1)[C@@H]1CCCC[C@H]1S(C)(=O)=O
InChIInChI=1S/C18H24N2O3S/c1-20(15-10-6-7-11-17(15)24(2,21)22)13-18-19-12-16(23-18)14-8-4-3-5-9-14/h3-5,8-9,12,15,17H,6-7,10-11,13H2,1-2H3/t15-,17-/m1/s1
InChIKeyHSEFCRIEVLLIIY-NVXWUHKLSA-N
XLogP3.13
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-methyl-2-methylsulfonyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-N-methyl-2-methylsulfonyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine (CID 129422119) is trans-(1R,2R)-N-methyl-2-methylsulfonyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-N-methyl-2-methylsulfonyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-N-methyl-2-methylsulfonyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine is CN(Cc1ncc(-c2ccccc2)o1)[C@@H]1CCCC[C@H]1S(C)(=O)=O.
What is the InChIKey of trans-(1R,2R)-N-methyl-2-methylsulfonyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is HSEFCRIEVLLIIY-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-20(15-10-6-7-11-17(15)24(2,21)22)13-18-19-12-16(23-18)14-8-4-3-5-9-14/h3-5,8-9,12,15,17H,6-7,10-11,13H2,1-2H3/t15-,17-/m1/s1.
What are the key properties of trans-(1R,2R)-N-methyl-2-methylsulfonyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine?
trans-(1R,2R)-N-methyl-2-methylsulfonyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 348.47 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-methyl-2-methylsulfonyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 129422119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).