N,N-diethyl-2-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]sulfonylamino]acetamide

C10H19F3N2O3S — CID 97347551

IUPACN,N-diethyl-2-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]sulfonylamino]acetamide
SMILESCCN(CC)C(=O)CN(C)S(=O)(=O)[C@H](C)C(F)(F)F
InChIInChI=1S/C10H19F3N2O3S/c1-5-15(6-2)9(16)7-14(4)19(17,18)8(3)10(11,12)13/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyRBKFGGDKUCRATO-MRVPVSSYSA-N
MW304.33 g/mol
LogP1.07
Rot. Bonds6

About N,N-diethyl-2-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]sulfonylamino]acetamide

N,N-diethyl-2-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]sulfonylamino]acetamide (PubChem CID 97347551) has the molecular formula C10H19F3N2O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is N,N-diethyl-2-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]sulfonylamino]acetamide
PubChem CID97347551
Molecular FormulaC10H19F3N2O3S
Molecular Weight304.33 g/mol
Exact Mass304.11
IUPAC NameN,N-diethyl-2-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]sulfonylamino]acetamide
SMILESCCN(CC)C(=O)CN(C)S(=O)(=O)[C@H](C)C(F)(F)F
InChIInChI=1S/C10H19F3N2O3S/c1-5-15(6-2)9(16)7-14(4)19(17,18)8(3)10(11,12)13/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyRBKFGGDKUCRATO-MRVPVSSYSA-N
XLogP1.07
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[methyl(1,1,1-trifluoropropan-2-ylsulfonyl)amino]acetamide
CID 75452067
1-(4-Ethylsulfonylpiperazin-1-yl)-3,3,3-trifluoropropan-1-one
CID 46199858
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 68198417
1-[4-(3,3,3-Trifluoropropylsulfonyl)piperazin-1-yl]propan-1-one
CID 126758826
N-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 49070412
2-[3-chloropropylsulfonyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
CID 54877257
2-[methyl(propan-2-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61354870
2-[methyl(propylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61384250
2,2,2-Trifluoro-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 62728775
N,N-dimethyl-2-[propan-2-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide
CID 64584364
2-[ethylsulfonyl(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
CID 64584365
N,N-dimethyl-2-[methylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide
CID 64584366

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]sulfonylamino]acetamide?
The IUPAC name of N,N-diethyl-2-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]sulfonylamino]acetamide (CID 97347551) is N,N-diethyl-2-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]sulfonylamino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]sulfonylamino]acetamide?
The canonical SMILES for N,N-diethyl-2-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]sulfonylamino]acetamide is CCN(CC)C(=O)CN(C)S(=O)(=O)[C@H](C)C(F)(F)F.
What is the InChIKey of N,N-diethyl-2-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]sulfonylamino]acetamide?
The InChIKey is RBKFGGDKUCRATO-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19F3N2O3S/c1-5-15(6-2)9(16)7-14(4)19(17,18)8(3)10(11,12)13/h8H,5-7H2,1-4H3/t8-/m1/s1.
What are the key properties of N,N-diethyl-2-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]sulfonylamino]acetamide?
N,N-diethyl-2-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]sulfonylamino]acetamide has a molecular weight of 304.33 g/mol, XLogP of 1.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]sulfonylamino]acetamide is sourced from PubChem (CID 97347551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).