2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]acetamide;2,2,2-trifluoroacetic acid

C11H19F3N4O6S — CID 68965804

IUPAC2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]acetamide;2,2,2-trifluoroacetic acid
SMILESCS(=O)(=O)N1CCC(NC(=O)NCC(N)=O)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N4O4S.C2HF3O2/c1-18(16,17)13-4-2-7(3-5-13)12-9(15)11-6-8(10)14;3-2(4,5)1(6)7/h7H,2-6H2,1H3,(H2,10,14)(H2,11,12,15);(H,6,7)
InChIKeyURIVVVMLPVUOSC-UHFFFAOYSA-N
MW392.36 g/mol
LogP-1.17
Rot. Bonds4

About 2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]acetamide;2,2,2-trifluoroacetic acid

2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 68965804) has the molecular formula C11H19F3N4O6S and a molecular weight of 392.36 g/mol. Its IUPAC name is 2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]acetamide;2,2,2-trifluoroacetic acid
PubChem CID68965804
Molecular FormulaC11H19F3N4O6S
Molecular Weight392.36 g/mol
Exact Mass392.10
IUPAC Name2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]acetamide;2,2,2-trifluoroacetic acid
SMILESCS(=O)(=O)N1CCC(NC(=O)NCC(N)=O)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N4O4S.C2HF3O2/c1-18(16,17)13-4-2-7(3-5-13)12-9(15)11-6-8(10)14;3-2(4,5)1(6)7/h7H,2-6H2,1H3,(H2,10,14)(H2,11,12,15);(H,6,7)
InChIKeyURIVVVMLPVUOSC-UHFFFAOYSA-N
XLogP-1.17
TPSA158.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 5-1.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]acetamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]acetamide;2,2,2-trifluoroacetic acid (CID 68965804) is 2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]acetamide;2,2,2-trifluoroacetic acid is CS(=O)(=O)N1CCC(NC(=O)NCC(N)=O)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is URIVVVMLPVUOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O4S.C2HF3O2/c1-18(16,17)13-4-2-7(3-5-13)12-9(15)11-6-8(10)14;3-2(4,5)1(6)7/h7H,2-6H2,1H3,(H2,10,14)(H2,11,12,15);(H,6,7).
What are the key properties of 2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]acetamide;2,2,2-trifluoroacetic acid?
2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 392.36 g/mol, XLogP of -1.17, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68965804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).