N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]methanesulfonamide

C15H26N2O3S — CID 56774050

IUPACN-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]methanesulfonamide
SMILESCC(C)(C)c1cc(C[C@@H]2C[C@H](NS(C)(=O)=O)C2(C)C)no1
InChIInChI=1S/C15H26N2O3S/c1-14(2,3)13-9-11(16-20-13)7-10-8-12(15(10,4)5)17-21(6,18)19/h9-10,12,17H,7-8H2,1-6H3/t10-,12+/m1/s1
InChIKeyDGVKOGVYLHJKBF-PWSUYJOCSA-N
MW314.45 g/mol
LogP2.48
Rot. Bonds4

About N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]methanesulfonamide

N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]methanesulfonamide (PubChem CID 56774050) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]methanesulfonamide
PubChem CID56774050
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]methanesulfonamide
SMILESCC(C)(C)c1cc(C[C@@H]2C[C@H](NS(C)(=O)=O)C2(C)C)no1
InChIInChI=1S/C15H26N2O3S/c1-14(2,3)13-9-11(16-20-13)7-10-8-12(15(10,4)5)17-21(6,18)19/h9-10,12,17H,7-8H2,1-6H3/t10-,12+/m1/s1
InChIKeyDGVKOGVYLHJKBF-PWSUYJOCSA-N
XLogP2.48
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]methanesulfonamide?
The IUPAC name of N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]methanesulfonamide (CID 56774050) is N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]methanesulfonamide.
What is the SMILES notation for N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]methanesulfonamide?
The canonical SMILES for N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]methanesulfonamide is CC(C)(C)c1cc(C[C@@H]2C[C@H](NS(C)(=O)=O)C2(C)C)no1.
What is the InChIKey of N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]methanesulfonamide?
The InChIKey is DGVKOGVYLHJKBF-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-14(2,3)13-9-11(16-20-13)7-10-8-12(15(10,4)5)17-21(6,18)19/h9-10,12,17H,7-8H2,1-6H3/t10-,12+/m1/s1.
What are the key properties of N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]methanesulfonamide?
N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]methanesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]methanesulfonamide is sourced from PubChem (CID 56774050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).