N-[2-(methanesulfonamido)-2-methylpropyl]-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide

C13H24F3N3O3S — CID 75448062

IUPACN-[2-(methanesulfonamido)-2-methylpropyl]-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
SMILESCC(C)(CNC(=O)CN1CCC(C(F)(F)F)CC1)NS(C)(=O)=O
InChIInChI=1S/C13H24F3N3O3S/c1-12(2,18-23(3,21)22)9-17-11(20)8-19-6-4-10(5-7-19)13(14,15)16/h10,18H,4-9H2,1-3H3,(H,17,20)
InChIKeyMXDMFEBTPGWIPX-UHFFFAOYSA-N
MW359.41 g/mol
LogP0.70
Rot. Bonds6

About N-[2-(methanesulfonamido)-2-methylpropyl]-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide

N-[2-(methanesulfonamido)-2-methylpropyl]-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide (PubChem CID 75448062) has the molecular formula C13H24F3N3O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)-2-methylpropyl]-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)-2-methylpropyl]-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
PubChem CID75448062
Molecular FormulaC13H24F3N3O3S
Molecular Weight359.41 g/mol
Exact Mass359.15
IUPAC NameN-[2-(methanesulfonamido)-2-methylpropyl]-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
SMILESCC(C)(CNC(=O)CN1CCC(C(F)(F)F)CC1)NS(C)(=O)=O
InChIInChI=1S/C13H24F3N3O3S/c1-12(2,18-23(3,21)22)9-17-11(20)8-19-6-4-10(5-7-19)13(14,15)16/h10,18H,4-9H2,1-3H3,(H,17,20)
InChIKeyMXDMFEBTPGWIPX-UHFFFAOYSA-N
XLogP0.70
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)-2-methylpropyl]-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-[2-(methanesulfonamido)-2-methylpropyl]-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide (CID 75448062) is N-[2-(methanesulfonamido)-2-methylpropyl]-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(methanesulfonamido)-2-methylpropyl]-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[2-(methanesulfonamido)-2-methylpropyl]-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide is CC(C)(CNC(=O)CN1CCC(C(F)(F)F)CC1)NS(C)(=O)=O.
What is the InChIKey of N-[2-(methanesulfonamido)-2-methylpropyl]-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide?
The InChIKey is MXDMFEBTPGWIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O3S/c1-12(2,18-23(3,21)22)9-17-11(20)8-19-6-4-10(5-7-19)13(14,15)16/h10,18H,4-9H2,1-3H3,(H,17,20).
What are the key properties of N-[2-(methanesulfonamido)-2-methylpropyl]-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide?
N-[2-(methanesulfonamido)-2-methylpropyl]-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide has a molecular weight of 359.41 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)-2-methylpropyl]-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 75448062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).