N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride

C10H20ClF3N2O2S — CID 120875294

IUPACN-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride
SMILESCl.NCC1CCCC1NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2S.ClH/c11-10(12,13)5-2-6-18(16,17)15-9-4-1-3-8(9)7-14;/h8-9,15H,1-7,14H2;1H
InChIKeyQMQNFFWFGMQJBN-UHFFFAOYSA-N
MW324.80 g/mol
LogP1.80
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride (PubChem CID 120875294) has the molecular formula C10H20ClF3N2O2S and a molecular weight of 324.80 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride
PubChem CID120875294
Molecular FormulaC10H20ClF3N2O2S
Molecular Weight324.80 g/mol
Exact Mass324.09
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride
SMILESCl.NCC1CCCC1NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2S.ClH/c11-10(12,13)5-2-6-18(16,17)15-9-4-1-3-8(9)7-14;/h8-9,15H,1-7,14H2;1H
InChIKeyQMQNFFWFGMQJBN-UHFFFAOYSA-N
XLogP1.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.80
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride (CID 120875294) is N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride is Cl.NCC1CCCC1NS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride?
The InChIKey is QMQNFFWFGMQJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S.ClH/c11-10(12,13)5-2-6-18(16,17)15-9-4-1-3-8(9)7-14;/h8-9,15H,1-7,14H2;1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride has a molecular weight of 324.80 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 120875294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).