N-methyl-N-[2-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]heptan-2-yl]methanesulfonamide

C14H28F3NO3S — CID 118241872

IUPACN-methyl-N-[2-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]heptan-2-yl]methanesulfonamide
SMILESCCCC(CO[C@H](C)C(F)(F)F)CC(C)(C)N(C)S(C)(=O)=O
InChIInChI=1S/C14H28F3NO3S/c1-7-8-12(10-21-11(2)14(15,16)17)9-13(3,4)18(5)22(6,19)20/h11-12H,7-10H2,1-6H3/t11-,12?/m1/s1
InChIKeyMELOPSJXKJIURG-JHJMLUEUSA-N
MW347.44 g/mol
LogP3.43
Rot. Bonds9

About N-methyl-N-[2-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]heptan-2-yl]methanesulfonamide

N-methyl-N-[2-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]heptan-2-yl]methanesulfonamide (PubChem CID 118241872) has the molecular formula C14H28F3NO3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-methyl-N-[2-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]heptan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]heptan-2-yl]methanesulfonamide
PubChem CID118241872
Molecular FormulaC14H28F3NO3S
Molecular Weight347.44 g/mol
Exact Mass347.17
IUPAC NameN-methyl-N-[2-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]heptan-2-yl]methanesulfonamide
SMILESCCCC(CO[C@H](C)C(F)(F)F)CC(C)(C)N(C)S(C)(=O)=O
InChIInChI=1S/C14H28F3NO3S/c1-7-8-12(10-21-11(2)14(15,16)17)9-13(3,4)18(5)22(6,19)20/h11-12H,7-10H2,1-6H3/t11-,12?/m1/s1
InChIKeyMELOPSJXKJIURG-JHJMLUEUSA-N
XLogP3.43
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-methyl-4-(1,1,1-trifluoropropan-2-yloxymethyl)heptan-2-yl]methanesulfonamide
CID 118241892
N-methyl-N-[2-methyl-4-[[2-methylsulfonylethyl(propan-2-yl)amino]methyl]heptan-2-yl]methanesulfonamide
CID 118241856
4-methyl-4-[methyl(methylsulfonyl)amino]-N-propan-2-yl-2-propylpentanamide
CID 118241891
N-[5-[[di(propan-2-yl)amino]methyl]-3-methylheptan-3-yl]-N-methylmethanesulfonamide
CID 121274624
N-methyl-N-[2-methyl-4-(3-propan-2-yltriazol-4-yl)heptan-2-yl]methanesulfonamide
CID 118241694
4-[(2-methylpropan-2-yl)oxymethyl]heptanal;1,1,1-trifluoropropane
CID 176971137
2-ethylpentyl methanesulfonate
CID 87281207
N-methyl-N-(trifluoromethyl)methanesulfonamide
CID 172820262
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)butane-1-sulfonyl chloride
CID 102723439
1,1,1-trifluoro-N-methyl-N-propan-2-ylpentan-2-amine
CID 163257968
methyl 2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanoate
CID 66277657
CID 174093884
CID 174093884

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]heptan-2-yl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]heptan-2-yl]methanesulfonamide (CID 118241872) is N-methyl-N-[2-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]heptan-2-yl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]heptan-2-yl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]heptan-2-yl]methanesulfonamide is CCCC(CO[C@H](C)C(F)(F)F)CC(C)(C)N(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[2-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]heptan-2-yl]methanesulfonamide?
The InChIKey is MELOPSJXKJIURG-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H28F3NO3S/c1-7-8-12(10-21-11(2)14(15,16)17)9-13(3,4)18(5)22(6,19)20/h11-12H,7-10H2,1-6H3/t11-,12?/m1/s1.
What are the key properties of N-methyl-N-[2-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]heptan-2-yl]methanesulfonamide?
N-methyl-N-[2-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]heptan-2-yl]methanesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 3.43, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-methyl-4-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]heptan-2-yl]methanesulfonamide is sourced from PubChem (CID 118241872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).