N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-(propan-2-ylsulfamoyl)piperazine-1-carboxamide

C13H23F3N4O3S — CID 164636735

IUPACN-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-(propan-2-ylsulfamoyl)piperazine-1-carboxamide
SMILESCC(C)NS(=O)(=O)N1CCN(C(=O)N[C@@H](C2CC2)C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N4O3S/c1-9(2)18-24(22,23)20-7-5-19(6-8-20)12(21)17-11(10-3-4-10)13(14,15)16/h9-11,18H,3-8H2,1-2H3,(H,17,21)/t11-/m0/s1
InChIKeyDNMASXMKRQJLFV-NSHDSACASA-N
MW372.41 g/mol
LogP0.90
Rot. Bonds5

About N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-(propan-2-ylsulfamoyl)piperazine-1-carboxamide

N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-(propan-2-ylsulfamoyl)piperazine-1-carboxamide (PubChem CID 164636735) has the molecular formula C13H23F3N4O3S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-(propan-2-ylsulfamoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-(propan-2-ylsulfamoyl)piperazine-1-carboxamide
PubChem CID164636735
Molecular FormulaC13H23F3N4O3S
Molecular Weight372.41 g/mol
Exact Mass372.14
IUPAC NameN-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-(propan-2-ylsulfamoyl)piperazine-1-carboxamide
SMILESCC(C)NS(=O)(=O)N1CCN(C(=O)N[C@@H](C2CC2)C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N4O3S/c1-9(2)18-24(22,23)20-7-5-19(6-8-20)12(21)17-11(10-3-4-10)13(14,15)16/h9-11,18H,3-8H2,1-2H3,(H,17,21)/t11-/m0/s1
InChIKeyDNMASXMKRQJLFV-NSHDSACASA-N
XLogP0.90
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-(propan-2-ylsulfamoyl)piperazine-1-carboxamide?
The IUPAC name of N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-(propan-2-ylsulfamoyl)piperazine-1-carboxamide (CID 164636735) is N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-(propan-2-ylsulfamoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-(propan-2-ylsulfamoyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-(propan-2-ylsulfamoyl)piperazine-1-carboxamide is CC(C)NS(=O)(=O)N1CCN(C(=O)N[C@@H](C2CC2)C(F)(F)F)CC1.
What is the InChIKey of N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-(propan-2-ylsulfamoyl)piperazine-1-carboxamide?
The InChIKey is DNMASXMKRQJLFV-NSHDSACASA-N. The full InChI is InChI=1S/C13H23F3N4O3S/c1-9(2)18-24(22,23)20-7-5-19(6-8-20)12(21)17-11(10-3-4-10)13(14,15)16/h9-11,18H,3-8H2,1-2H3,(H,17,21)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-(propan-2-ylsulfamoyl)piperazine-1-carboxamide?
N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-(propan-2-ylsulfamoyl)piperazine-1-carboxamide has a molecular weight of 372.41 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-(propan-2-ylsulfamoyl)piperazine-1-carboxamide is sourced from PubChem (CID 164636735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).