2,2,2-trifluoro-N-[2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]ethyl]acetamide

C11H19F3N4O4S — CID 87637916

IUPAC2,2,2-trifluoro-N-[2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]ethyl]acetamide
SMILESCS(=O)(=O)N1CCC(NC(=O)NCCNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N4O4S/c1-23(21,22)18-6-2-8(3-7-18)17-10(20)16-5-4-15-9(19)11(12,13)14/h8H,2-7H2,1H3,(H,15,19)(H2,16,17,20)
InChIKeySICGYDYFDGALOP-UHFFFAOYSA-N
MW360.36 g/mol
LogP-0.61
Rot. Bonds5

About 2,2,2-trifluoro-N-[2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]ethyl]acetamide

2,2,2-trifluoro-N-[2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]ethyl]acetamide (PubChem CID 87637916) has the molecular formula C11H19F3N4O4S and a molecular weight of 360.36 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]ethyl]acetamide
PubChem CID87637916
Molecular FormulaC11H19F3N4O4S
Molecular Weight360.36 g/mol
Exact Mass360.11
IUPAC Name2,2,2-trifluoro-N-[2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]ethyl]acetamide
SMILESCS(=O)(=O)N1CCC(NC(=O)NCCNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N4O4S/c1-23(21,22)18-6-2-8(3-7-18)17-10(20)16-5-4-15-9(19)11(12,13)14/h8H,2-7H2,1H3,(H,15,19)(H2,16,17,20)
InChIKeySICGYDYFDGALOP-UHFFFAOYSA-N
XLogP-0.61
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
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 2,2,2-trifluoro-N-[2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]ethyl]acetamide (CID 87637916) is 2,2,2-trifluoro-N-[2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]ethyl]acetamide is CS(=O)(=O)N1CCC(NC(=O)NCCNC(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]ethyl]acetamide?
The InChIKey is SICGYDYFDGALOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O4S/c1-23(21,22)18-6-2-8(3-7-18)17-10(20)16-5-4-15-9(19)11(12,13)14/h8H,2-7H2,1H3,(H,15,19)(H2,16,17,20).
What are the key properties of 2,2,2-trifluoro-N-[2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]ethyl]acetamide?
2,2,2-trifluoro-N-[2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]ethyl]acetamide has a molecular weight of 360.36 g/mol, XLogP of -0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[(1-methylsulfonylpiperidin-4-yl)carbamoylamino]ethyl]acetamide is sourced from PubChem (CID 87637916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).