2-[4-(2,2,2-trifluoroethylsulfamoylamino)piperidin-1-yl]ethanimidamide

C9H18F3N5O2S — CID 114813139

IUPAC2-[4-(2,2,2-trifluoroethylsulfamoylamino)piperidin-1-yl]ethanimidamide
SMILES[H]/N=C(\N)CN1CCC(NS(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H18F3N5O2S/c10-9(11,12)6-15-20(18,19)16-7-1-3-17(4-2-7)5-8(13)14/h7,15-16H,1-6H2,(H3,13,14)
InChIKeySVQXGRPNFFNHIR-UHFFFAOYSA-N
MW317.34 g/mol
LogP-0.63
Rot. Bonds6

About 2-[4-(2,2,2-trifluoroethylsulfamoylamino)piperidin-1-yl]ethanimidamide

2-[4-(2,2,2-trifluoroethylsulfamoylamino)piperidin-1-yl]ethanimidamide (PubChem CID 114813139) has the molecular formula C9H18F3N5O2S and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-[4-(2,2,2-trifluoroethylsulfamoylamino)piperidin-1-yl]ethanimidamide.

Molecular Properties

Compound Name2-[4-(2,2,2-trifluoroethylsulfamoylamino)piperidin-1-yl]ethanimidamide
PubChem CID114813139
Molecular FormulaC9H18F3N5O2S
Molecular Weight317.34 g/mol
Exact Mass317.11
IUPAC Name2-[4-(2,2,2-trifluoroethylsulfamoylamino)piperidin-1-yl]ethanimidamide
SMILES[H]/N=C(\N)CN1CCC(NS(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H18F3N5O2S/c10-9(11,12)6-15-20(18,19)16-7-1-3-17(4-2-7)5-8(13)14/h7,15-16H,1-6H2,(H3,13,14)
InChIKeySVQXGRPNFFNHIR-UHFFFAOYSA-N
XLogP-0.63
TPSA111.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2,2-trifluoroethylsulfamoylamino)piperidin-1-yl]ethanimidamide?
The IUPAC name of 2-[4-(2,2,2-trifluoroethylsulfamoylamino)piperidin-1-yl]ethanimidamide (CID 114813139) is 2-[4-(2,2,2-trifluoroethylsulfamoylamino)piperidin-1-yl]ethanimidamide.
What is the SMILES notation for 2-[4-(2,2,2-trifluoroethylsulfamoylamino)piperidin-1-yl]ethanimidamide?
The canonical SMILES for 2-[4-(2,2,2-trifluoroethylsulfamoylamino)piperidin-1-yl]ethanimidamide is [H]/N=C(\N)CN1CCC(NS(=O)(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-[4-(2,2,2-trifluoroethylsulfamoylamino)piperidin-1-yl]ethanimidamide?
The InChIKey is SVQXGRPNFFNHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N5O2S/c10-9(11,12)6-15-20(18,19)16-7-1-3-17(4-2-7)5-8(13)14/h7,15-16H,1-6H2,(H3,13,14).
What are the key properties of 2-[4-(2,2,2-trifluoroethylsulfamoylamino)piperidin-1-yl]ethanimidamide?
2-[4-(2,2,2-trifluoroethylsulfamoylamino)piperidin-1-yl]ethanimidamide has a molecular weight of 317.34 g/mol, XLogP of -0.63, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2,2-trifluoroethylsulfamoylamino)piperidin-1-yl]ethanimidamide is sourced from PubChem (CID 114813139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).