2-[1-(dimethylamino)hexan-3-ylamino]-N-(trifluoromethylsulfonyl)acetamide

C11H22F3N3O3S — CID 130305327

IUPAC2-[1-(dimethylamino)hexan-3-ylamino]-N-(trifluoromethylsulfonyl)acetamide
SMILESCCCC(CCN(C)C)NCC(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H22F3N3O3S/c1-4-5-9(6-7-17(2)3)15-8-10(18)16-21(19,20)11(12,13)14/h9,15H,4-8H2,1-3H3,(H,16,18)
InChIKeyVQPUMJRWONEDTK-UHFFFAOYSA-N
MW333.38 g/mol
LogP0.66
Rot. Bonds9

About 2-[1-(dimethylamino)hexan-3-ylamino]-N-(trifluoromethylsulfonyl)acetamide

2-[1-(dimethylamino)hexan-3-ylamino]-N-(trifluoromethylsulfonyl)acetamide (PubChem CID 130305327) has the molecular formula C11H22F3N3O3S and a molecular weight of 333.38 g/mol. Its IUPAC name is 2-[1-(dimethylamino)hexan-3-ylamino]-N-(trifluoromethylsulfonyl)acetamide.

Molecular Properties

Compound Name2-[1-(dimethylamino)hexan-3-ylamino]-N-(trifluoromethylsulfonyl)acetamide
PubChem CID130305327
Molecular FormulaC11H22F3N3O3S
Molecular Weight333.38 g/mol
Exact Mass333.13
IUPAC Name2-[1-(dimethylamino)hexan-3-ylamino]-N-(trifluoromethylsulfonyl)acetamide
SMILESCCCC(CCN(C)C)NCC(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H22F3N3O3S/c1-4-5-9(6-7-17(2)3)15-8-10(18)16-21(19,20)11(12,13)14/h9,15H,4-8H2,1-3H3,(H,16,18)
InChIKeyVQPUMJRWONEDTK-UHFFFAOYSA-N
XLogP0.66
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-6-amino-N-methyl-2-(trifluoromethylsulfonylamino)hexanamide
CID 20681230
(2S)-2-amino-N-methyl-6-(trifluoromethylsulfonylamino)hexanamide
CID 54410395
2-[1,4-bis(diethylamino)butan-2-ylamino]-N-(trifluoromethylsulfonyl)acetamide
CID 130303702
2-[(2S)-2-(methanesulfonamidomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 33415883
2-[(2R)-2-(methanesulfonamidomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 33415889
2-[2-(methanesulfonamidomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 45813819
2-[4-(methanesulfonamido)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 47134688
2-[Piperidin-4-yl(trifluoromethylsulfonyl)amino]acetamide
CID 54923271
N-cyclopropyl-2-[4-[methylsulfonyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]acetamide
CID 60302751
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-[Difluoromethylsulfonyl(piperidin-3-yl)amino]acetamide
CID 60800341

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)hexan-3-ylamino]-N-(trifluoromethylsulfonyl)acetamide?
The IUPAC name of 2-[1-(dimethylamino)hexan-3-ylamino]-N-(trifluoromethylsulfonyl)acetamide (CID 130305327) is 2-[1-(dimethylamino)hexan-3-ylamino]-N-(trifluoromethylsulfonyl)acetamide.
What is the SMILES notation for 2-[1-(dimethylamino)hexan-3-ylamino]-N-(trifluoromethylsulfonyl)acetamide?
The canonical SMILES for 2-[1-(dimethylamino)hexan-3-ylamino]-N-(trifluoromethylsulfonyl)acetamide is CCCC(CCN(C)C)NCC(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-[1-(dimethylamino)hexan-3-ylamino]-N-(trifluoromethylsulfonyl)acetamide?
The InChIKey is VQPUMJRWONEDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O3S/c1-4-5-9(6-7-17(2)3)15-8-10(18)16-21(19,20)11(12,13)14/h9,15H,4-8H2,1-3H3,(H,16,18).
What are the key properties of 2-[1-(dimethylamino)hexan-3-ylamino]-N-(trifluoromethylsulfonyl)acetamide?
2-[1-(dimethylamino)hexan-3-ylamino]-N-(trifluoromethylsulfonyl)acetamide has a molecular weight of 333.38 g/mol, XLogP of 0.66, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)hexan-3-ylamino]-N-(trifluoromethylsulfonyl)acetamide is sourced from PubChem (CID 130305327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).