2-[cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide

C11H20F3N3O2S — CID 83058408

IUPAC2-[cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(C1CCCC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H20F3N3O2S/c12-11(13,14)6-3-7-20(18,19)17(8-10(15)16)9-4-1-2-5-9/h9H,1-8H2,(H3,15,16)
InChIKeyCQOLJZUKKTUGAP-UHFFFAOYSA-N
MW315.36 g/mol
LogP1.84
Rot. Bonds7

About 2-[cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide

2-[cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide (PubChem CID 83058408) has the molecular formula C11H20F3N3O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is 2-[cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide.

Molecular Properties

Compound Name2-[cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide
PubChem CID83058408
Molecular FormulaC11H20F3N3O2S
Molecular Weight315.36 g/mol
Exact Mass315.12
IUPAC Name2-[cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(C1CCCC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C11H20F3N3O2S/c12-11(13,14)6-3-7-20(18,19)17(8-10(15)16)9-4-1-2-5-9/h9H,1-8H2,(H3,15,16)
InChIKeyCQOLJZUKKTUGAP-UHFFFAOYSA-N
XLogP1.84
TPSA87.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide?
The IUPAC name of 2-[cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide (CID 83058408) is 2-[cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide.
What is the SMILES notation for 2-[cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide?
The canonical SMILES for 2-[cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide is [H]/N=C(\N)CN(C1CCCC1)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 2-[cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide?
The InChIKey is CQOLJZUKKTUGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2S/c12-11(13,14)6-3-7-20(18,19)17(8-10(15)16)9-4-1-2-5-9/h9H,1-8H2,(H3,15,16).
What are the key properties of 2-[cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide?
2-[cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide has a molecular weight of 315.36 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide is sourced from PubChem (CID 83058408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).