4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide

C13H20F3N5O3S2 — CID 20629112

IUPAC4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C13H20F3N5O3S2/c1-12(2,3)26(23,24)20-8-4-6-21(7-5-8)11(22)17-10-19-18-9(25-10)13(14,15)16/h8,20H,4-7H2,1-3H3,(H,17,19,22)
InChIKeyVMQCKOBCRACOGN-UHFFFAOYSA-N
MW415.46 g/mol
LogP2.27
Rot. Bonds3

About 4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide

4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide (PubChem CID 20629112) has the molecular formula C13H20F3N5O3S2 and a molecular weight of 415.46 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
PubChem CID20629112
Molecular FormulaC13H20F3N5O3S2
Molecular Weight415.46 g/mol
Exact Mass415.10
IUPAC Name4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C13H20F3N5O3S2/c1-12(2,3)26(23,24)20-8-4-6-21(7-5-8)11(22)17-10-19-18-9(25-10)13(14,15)16/h8,20H,4-7H2,1-3H3,(H,17,19,22)
InChIKeyVMQCKOBCRACOGN-UHFFFAOYSA-N
XLogP2.27
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide (CID 20629112) is 4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide is CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2nnc(C(F)(F)F)s2)CC1.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is VMQCKOBCRACOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5O3S2/c1-12(2,3)26(23,24)20-8-4-6-21(7-5-8)11(22)17-10-19-18-9(25-10)13(14,15)16/h8,20H,4-7H2,1-3H3,(H,17,19,22).
What are the key properties of 4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 415.46 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 20629112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).