2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide

C10H20F3N3O3S — CID 115619438

IUPAC2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCC(C)(C)NS(C)(=O)=O)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H20F3N3O3S/c1-7(8(17)15-6-10(11,12)13)14-5-9(2,3)16-20(4,18)19/h7,14,16H,5-6H2,1-4H3,(H,15,17)
InChIKeyDLLWSFHOPGEWGS-UHFFFAOYSA-N
MW319.35 g/mol
LogP-0.03
Rot. Bonds7

About 2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide

2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 115619438) has the molecular formula C10H20F3N3O3S and a molecular weight of 319.35 g/mol. Its IUPAC name is 2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID115619438
Molecular FormulaC10H20F3N3O3S
Molecular Weight319.35 g/mol
Exact Mass319.12
IUPAC Name2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCC(C)(C)NS(C)(=O)=O)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H20F3N3O3S/c1-7(8(17)15-6-10(11,12)13)14-5-9(2,3)16-20(4,18)19/h7,14,16H,5-6H2,1-4H3,(H,15,17)
InChIKeyDLLWSFHOPGEWGS-UHFFFAOYSA-N
XLogP-0.03
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide with MolForge

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Related Compounds

2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 53383311
2,2-dimethyl-N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide
CID 89425392
2-methyl-N-[1-(trifluoromethylsulfonyl)azetidin-3-yl]propanamide
CID 117709128
2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55257321
N-tert-butyl-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]propanamide
CID 60587391
2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492565
4-(Difluoromethylsulfonyl)-3-ethylpiperazin-2-one
CID 63600176
4-(Difluoromethylsulfonyl)-3,3-dimethylpiperazin-2-one
CID 63605898
3,3-Dimethyl-4-(trifluoromethylsulfonyl)piperazin-2-one
CID 63606397
4-(Difluoromethylsulfonyl)-3-methylpiperazin-2-one
CID 63607965
3-Methyl-4-(trifluoromethylsulfonyl)piperazin-2-one
CID 63608141
2,2,2-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide
CID 63903656

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 115619438) is 2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide is CC(NCC(C)(C)NS(C)(=O)=O)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is DLLWSFHOPGEWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O3S/c1-7(8(17)15-6-10(11,12)13)14-5-9(2,3)16-20(4,18)19/h7,14,16H,5-6H2,1-4H3,(H,15,17).
What are the key properties of 2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 319.35 g/mol, XLogP of -0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 115619438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).