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

C13H22N2O4S — CID 56774086

IUPACN-[(1S,3S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide
SMILESCOCc1cc(C[C@@H]2C[C@H](NS(C)(=O)=O)C2(C)C)no1
InChIInChI=1S/C13H22N2O4S/c1-13(2)9(6-12(13)15-20(4,16)17)5-10-7-11(8-18-3)19-14-10/h7,9,12,15H,5-6,8H2,1-4H3/t9-,12+/m1/s1
InChIKeyBPCJACGFHVUCBR-SKDRFNHKSA-N
MW302.40 g/mol
LogP1.33
Rot. Bonds6

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

N-[(1S,3S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide (PubChem CID 56774086) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[(1S,3S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide
PubChem CID56774086
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC NameN-[(1S,3S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide
SMILESCOCc1cc(C[C@@H]2C[C@H](NS(C)(=O)=O)C2(C)C)no1
InChIInChI=1S/C13H22N2O4S/c1-13(2)9(6-12(13)15-20(4,16)17)5-10-7-11(8-18-3)19-14-10/h7,9,12,15H,5-6,8H2,1-4H3/t9-,12+/m1/s1
InChIKeyBPCJACGFHVUCBR-SKDRFNHKSA-N
XLogP1.33
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S,3S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide?
The IUPAC name of N-[(1S,3S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide (CID 56774086) is N-[(1S,3S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide.
What is the SMILES notation for N-[(1S,3S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide?
The canonical SMILES for N-[(1S,3S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide is COCc1cc(C[C@@H]2C[C@H](NS(C)(=O)=O)C2(C)C)no1.
What is the InChIKey of N-[(1S,3S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide?
The InChIKey is BPCJACGFHVUCBR-SKDRFNHKSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-13(2)9(6-12(13)15-20(4,16)17)5-10-7-11(8-18-3)19-14-10/h7,9,12,15H,5-6,8H2,1-4H3/t9-,12+/m1/s1.
What are the key properties of N-[(1S,3S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide?
N-[(1S,3S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethylcyclobutyl]methanesulfonamide is sourced from PubChem (CID 56774086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).