N-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide

C10H19F3N2O2S — CID 83067789

IUPACN-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESNCC1(NS(=O)(=O)CCCC(F)(F)F)CCCC1
InChIInChI=1S/C10H19F3N2O2S/c11-10(12,13)6-3-7-18(16,17)15-9(8-14)4-1-2-5-9/h15H,1-8,14H2
InChIKeyQBTZKTVVBMTKNB-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.52
Rot. Bonds6

About N-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide

N-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83067789) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83067789
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESNCC1(NS(=O)(=O)CCCC(F)(F)F)CCCC1
InChIInChI=1S/C10H19F3N2O2S/c11-10(12,13)6-3-7-18(16,17)15-9(8-14)4-1-2-5-9/h15H,1-8,14H2
InChIKeyQBTZKTVVBMTKNB-UHFFFAOYSA-N
XLogP1.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide (CID 83067789) is N-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide is NCC1(NS(=O)(=O)CCCC(F)(F)F)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is QBTZKTVVBMTKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c11-10(12,13)6-3-7-18(16,17)15-9(8-14)4-1-2-5-9/h15H,1-8,14H2.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide?
N-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83067789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).