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

C9H18F3N3O3S — CID 55257321

IUPAC2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)(CNCC(=O)NCC(F)(F)F)NS(C)(=O)=O
InChIInChI=1S/C9H18F3N3O3S/c1-8(2,15-19(3,17)18)5-13-4-7(16)14-6-9(10,11)12/h13,15H,4-6H2,1-3H3,(H,14,16)
InChIKeyTZLBACYHAZUHSW-UHFFFAOYSA-N
MW305.32 g/mol
LogP-0.42
Rot. Bonds7

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

2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 55257321) has the molecular formula C9H18F3N3O3S and a molecular weight of 305.32 g/mol. Its IUPAC name is 2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID55257321
Molecular FormulaC9H18F3N3O3S
Molecular Weight305.32 g/mol
Exact Mass305.10
IUPAC Name2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)(CNCC(=O)NCC(F)(F)F)NS(C)(=O)=O
InChIInChI=1S/C9H18F3N3O3S/c1-8(2,15-19(3,17)18)5-13-4-7(16)14-6-9(10,11)12/h13,15H,4-6H2,1-3H3,(H,14,16)
InChIKeyTZLBACYHAZUHSW-UHFFFAOYSA-N
XLogP-0.42
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 55257321) is 2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is CC(C)(CNCC(=O)NCC(F)(F)F)NS(C)(=O)=O.
What is the InChIKey of 2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is TZLBACYHAZUHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O3S/c1-8(2,15-19(3,17)18)5-13-4-7(16)14-6-9(10,11)12/h13,15H,4-6H2,1-3H3,(H,14,16).
What are the key properties of 2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 305.32 g/mol, XLogP of -0.42, 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)acetamide is sourced from PubChem (CID 55257321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).