3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylpropane-1-sulfonamide

C12H23N3O3S — CID 91829294

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylpropane-1-sulfonamide
SMILESCc1noc(C)c1CN(C)CCCS(=O)(=O)N(C)C
InChIInChI=1S/C12H23N3O3S/c1-10-12(11(2)18-13-10)9-15(5)7-6-8-19(16,17)14(3)4/h6-9H2,1-5H3
InChIKeyFTPWLMCAHPRUJQ-UHFFFAOYSA-N
MW289.40 g/mol
LogP1.00
Rot. Bonds7

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylpropane-1-sulfonamide

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylpropane-1-sulfonamide (PubChem CID 91829294) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylpropane-1-sulfonamide
PubChem CID91829294
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylpropane-1-sulfonamide
SMILESCc1noc(C)c1CN(C)CCCS(=O)(=O)N(C)C
InChIInChI=1S/C12H23N3O3S/c1-10-12(11(2)18-13-10)9-15(5)7-6-8-19(16,17)14(3)4/h6-9H2,1-5H3
InChIKeyFTPWLMCAHPRUJQ-UHFFFAOYSA-N
XLogP1.00
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 86830542
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 47010607
2-(2,5-dichlorophenyl)sulfonyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine
CID 55680416
4-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]propoxy]benzonitrile
CID 60500512
1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-N-methylpropane-1,2-diamine
CID 82398747
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethylsulfonyl-N-methylacetamide
CID 86827719
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 63267409
(2R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxy-N-methylpropane-1-sulfonamide
CID 99799701
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 86984051
2-(4-chlorophenoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine
CID 78790279
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-phenylpropan-1-ol
CID 45231089
(2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(methanesulfonamido)-N,4-dimethylpentanamide
CID 94150545

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylpropane-1-sulfonamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylpropane-1-sulfonamide (CID 91829294) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylpropane-1-sulfonamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylpropane-1-sulfonamide is Cc1noc(C)c1CN(C)CCCS(=O)(=O)N(C)C.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylpropane-1-sulfonamide?
The InChIKey is FTPWLMCAHPRUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-10-12(11(2)18-13-10)9-15(5)7-6-8-19(16,17)14(3)4/h6-9H2,1-5H3.
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylpropane-1-sulfonamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylpropane-1-sulfonamide has a molecular weight of 289.40 g/mol, XLogP of 1.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N,N-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 91829294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).