N-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]methanesulfonamide

C10H18F3N3O3S — CID 78931857

IUPACN-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3O3S/c1-20(18,19)15-8-2-4-16(5-3-8)9(17)6-14-7-10(11,12)13/h8,14-15H,2-7H2,1H3
InChIKeyHOWHAMLISSWOBR-UHFFFAOYSA-N
MW317.33 g/mol
LogP-0.32
Rot. Bonds5

About N-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]methanesulfonamide

N-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]methanesulfonamide (PubChem CID 78931857) has the molecular formula C10H18F3N3O3S and a molecular weight of 317.33 g/mol. Its IUPAC name is N-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]methanesulfonamide
PubChem CID78931857
Molecular FormulaC10H18F3N3O3S
Molecular Weight317.33 g/mol
Exact Mass317.10
IUPAC NameN-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3O3S/c1-20(18,19)15-8-2-4-16(5-3-8)9(17)6-14-7-10(11,12)13/h8,14-15H,2-7H2,1H3
InChIKeyHOWHAMLISSWOBR-UHFFFAOYSA-N
XLogP-0.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]methanesulfonamide (CID 78931857) is N-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(C(=O)CNCC(F)(F)F)CC1.
What is the InChIKey of N-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is HOWHAMLISSWOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O3S/c1-20(18,19)15-8-2-4-16(5-3-8)9(17)6-14-7-10(11,12)13/h8,14-15H,2-7H2,1H3.
What are the key properties of N-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]methanesulfonamide?
N-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 317.33 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 78931857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).