N-[2-[[3-(dimethylsulfamoyl)-1,1,1-trifluoropropan-2-yl]amino]ethyl]cyclopropanecarboxamide

C11H20F3N3O3S — CID 154772576

IUPACN-[2-[[3-(dimethylsulfamoyl)-1,1,1-trifluoropropan-2-yl]amino]ethyl]cyclopropanecarboxamide
SMILESCN(C)S(=O)(=O)CC(NCCNC(=O)C1CC1)C(F)(F)F
InChIInChI=1S/C11H20F3N3O3S/c1-17(2)21(19,20)7-9(11(12,13)14)15-5-6-16-10(18)8-3-4-8/h8-9,15H,3-7H2,1-2H3,(H,16,18)
InChIKeyCOJWTUCOMFGNMX-UHFFFAOYSA-N
MW331.36 g/mol
LogP-0.08
Rot. Bonds8

About N-[2-[[3-(dimethylsulfamoyl)-1,1,1-trifluoropropan-2-yl]amino]ethyl]cyclopropanecarboxamide

N-[2-[[3-(dimethylsulfamoyl)-1,1,1-trifluoropropan-2-yl]amino]ethyl]cyclopropanecarboxamide (PubChem CID 154772576) has the molecular formula C11H20F3N3O3S and a molecular weight of 331.36 g/mol. Its IUPAC name is N-[2-[[3-(dimethylsulfamoyl)-1,1,1-trifluoropropan-2-yl]amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[3-(dimethylsulfamoyl)-1,1,1-trifluoropropan-2-yl]amino]ethyl]cyclopropanecarboxamide
PubChem CID154772576
Molecular FormulaC11H20F3N3O3S
Molecular Weight331.36 g/mol
Exact Mass331.12
IUPAC NameN-[2-[[3-(dimethylsulfamoyl)-1,1,1-trifluoropropan-2-yl]amino]ethyl]cyclopropanecarboxamide
SMILESCN(C)S(=O)(=O)CC(NCCNC(=O)C1CC1)C(F)(F)F
InChIInChI=1S/C11H20F3N3O3S/c1-17(2)21(19,20)7-9(11(12,13)14)15-5-6-16-10(18)8-3-4-8/h8-9,15H,3-7H2,1-2H3,(H,16,18)
InChIKeyCOJWTUCOMFGNMX-UHFFFAOYSA-N
XLogP-0.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 5-0.08
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(dimethylsulfamoyl)-1,1,1-trifluoropropan-2-yl]amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[3-(dimethylsulfamoyl)-1,1,1-trifluoropropan-2-yl]amino]ethyl]cyclopropanecarboxamide (CID 154772576) is N-[2-[[3-(dimethylsulfamoyl)-1,1,1-trifluoropropan-2-yl]amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[3-(dimethylsulfamoyl)-1,1,1-trifluoropropan-2-yl]amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[3-(dimethylsulfamoyl)-1,1,1-trifluoropropan-2-yl]amino]ethyl]cyclopropanecarboxamide is CN(C)S(=O)(=O)CC(NCCNC(=O)C1CC1)C(F)(F)F.
What is the InChIKey of N-[2-[[3-(dimethylsulfamoyl)-1,1,1-trifluoropropan-2-yl]amino]ethyl]cyclopropanecarboxamide?
The InChIKey is COJWTUCOMFGNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O3S/c1-17(2)21(19,20)7-9(11(12,13)14)15-5-6-16-10(18)8-3-4-8/h8-9,15H,3-7H2,1-2H3,(H,16,18).
What are the key properties of N-[2-[[3-(dimethylsulfamoyl)-1,1,1-trifluoropropan-2-yl]amino]ethyl]cyclopropanecarboxamide?
N-[2-[[3-(dimethylsulfamoyl)-1,1,1-trifluoropropan-2-yl]amino]ethyl]cyclopropanecarboxamide has a molecular weight of 331.36 g/mol, XLogP of -0.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(dimethylsulfamoyl)-1,1,1-trifluoropropan-2-yl]amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 154772576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).