2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-(2,2,2-trifluoroethyl)propanamide

C11H22F3N3O3S — CID 115589021

IUPAC2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCN(CCCNC(C)C(=O)NCC(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C11H22F3N3O3S/c1-4-17(21(3,19)20)7-5-6-15-9(2)10(18)16-8-11(12,13)14/h9,15H,4-8H2,1-3H3,(H,16,18)
InChIKeyHZALSDYOCYYALO-UHFFFAOYSA-N
MW333.38 g/mol
LogP0.31
Rot. Bonds9

About 2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-(2,2,2-trifluoroethyl)propanamide

2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 115589021) has the molecular formula C11H22F3N3O3S and a molecular weight of 333.38 g/mol. Its IUPAC name is 2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID115589021
Molecular FormulaC11H22F3N3O3S
Molecular Weight333.38 g/mol
Exact Mass333.13
IUPAC Name2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCN(CCCNC(C)C(=O)NCC(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C11H22F3N3O3S/c1-4-17(21(3,19)20)7-5-6-15-9(2)10(18)16-8-11(12,13)14/h9,15H,4-8H2,1-3H3,(H,16,18)
InChIKeyHZALSDYOCYYALO-UHFFFAOYSA-N
XLogP0.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
N-[2-(trifluoromethylsulfonylamino)ethyl]propanamide
CID 89425423
2-[1,4-bis(diethylamino)butan-2-ylamino]-N-(trifluoromethylsulfonyl)acetamide
CID 130303702
2-[1-(dimethylamino)hexan-3-ylamino]-N-(trifluoromethylsulfonyl)acetamide
CID 130305327
2-(4-methylsulfonyl-1,4-diazepan-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 32230663
2-[4-(methanesulfonamido)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 47134688
2-[2-(methanesulfonamido)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 54961740
2-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55257321
N-methyl-2-[4-[methylsulfonyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]acetamide
CID 60306488
N-ethyl-2-[4-[methylsulfonyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]acetamide
CID 60306489
2-[(1-methylsulfonylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60976887
2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492565

Frequently Asked Questions

What is the IUPAC name of 2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 115589021) is 2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-(2,2,2-trifluoroethyl)propanamide is CCN(CCCNC(C)C(=O)NCC(F)(F)F)S(C)(=O)=O.
What is the InChIKey of 2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is HZALSDYOCYYALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O3S/c1-4-17(21(3,19)20)7-5-6-15-9(2)10(18)16-8-11(12,13)14/h9,15H,4-8H2,1-3H3,(H,16,18).
What are the key properties of 2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 333.38 g/mol, XLogP of 0.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 115589021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).