N-tert-butyl-4-[[[4-(trifluoromethyl)phenyl]methylsulfonylamino]methyl]piperidine-1-carboxamide

C19H28F3N3O3S — CID 71796759

IUPACN-tert-butyl-4-[[[4-(trifluoromethyl)phenyl]methylsulfonylamino]methyl]piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(CNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H28F3N3O3S/c1-18(2,3)24-17(26)25-10-8-14(9-11-25)12-23-29(27,28)13-15-4-6-16(7-5-15)19(20,21)22/h4-7,14,23H,8-13H2,1-3H3,(H,24,26)
InChIKeyKMXPOKARFMAEGJ-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.34
Rot. Bonds5

About N-tert-butyl-4-[[[4-(trifluoromethyl)phenyl]methylsulfonylamino]methyl]piperidine-1-carboxamide

N-tert-butyl-4-[[[4-(trifluoromethyl)phenyl]methylsulfonylamino]methyl]piperidine-1-carboxamide (PubChem CID 71796759) has the molecular formula C19H28F3N3O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-tert-butyl-4-[[[4-(trifluoromethyl)phenyl]methylsulfonylamino]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[[4-(trifluoromethyl)phenyl]methylsulfonylamino]methyl]piperidine-1-carboxamide
PubChem CID71796759
Molecular FormulaC19H28F3N3O3S
Molecular Weight435.51 g/mol
Exact Mass435.18
IUPAC NameN-tert-butyl-4-[[[4-(trifluoromethyl)phenyl]methylsulfonylamino]methyl]piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(CNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H28F3N3O3S/c1-18(2,3)24-17(26)25-10-8-14(9-11-25)12-23-29(27,28)13-15-4-6-16(7-5-15)19(20,21)22/h4-7,14,23H,8-13H2,1-3H3,(H,24,26)
InChIKeyKMXPOKARFMAEGJ-UHFFFAOYSA-N
XLogP3.34
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[[4-(trifluoromethyl)phenyl]methylsulfonylamino]methyl]piperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[[[4-(trifluoromethyl)phenyl]methylsulfonylamino]methyl]piperidine-1-carboxamide (CID 71796759) is N-tert-butyl-4-[[[4-(trifluoromethyl)phenyl]methylsulfonylamino]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[[[4-(trifluoromethyl)phenyl]methylsulfonylamino]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[[[4-(trifluoromethyl)phenyl]methylsulfonylamino]methyl]piperidine-1-carboxamide is CC(C)(C)NC(=O)N1CCC(CNS(=O)(=O)Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-tert-butyl-4-[[[4-(trifluoromethyl)phenyl]methylsulfonylamino]methyl]piperidine-1-carboxamide?
The InChIKey is KMXPOKARFMAEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3N3O3S/c1-18(2,3)24-17(26)25-10-8-14(9-11-25)12-23-29(27,28)13-15-4-6-16(7-5-15)19(20,21)22/h4-7,14,23H,8-13H2,1-3H3,(H,24,26).
What are the key properties of N-tert-butyl-4-[[[4-(trifluoromethyl)phenyl]methylsulfonylamino]methyl]piperidine-1-carboxamide?
N-tert-butyl-4-[[[4-(trifluoromethyl)phenyl]methylsulfonylamino]methyl]piperidine-1-carboxamide has a molecular weight of 435.51 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[[4-(trifluoromethyl)phenyl]methylsulfonylamino]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71796759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).