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

C10H20ClF3N2O2S — CID 120875154

IUPACN-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride
SMILESCl.NCC1(NS(=O)(=O)CCCC(F)(F)F)CCCC1
InChIInChI=1S/C10H19F3N2O2S.ClH/c11-10(12,13)6-3-7-18(16,17)15-9(8-14)4-1-2-5-9;/h15H,1-8,14H2;1H
InChIKeyLBAPMMVEWGTLPF-UHFFFAOYSA-N
MW324.80 g/mol
LogP1.94
Rot. Bonds6

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

N-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride (PubChem CID 120875154) has the molecular formula C10H20ClF3N2O2S and a molecular weight of 324.80 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride
PubChem CID120875154
Molecular FormulaC10H20ClF3N2O2S
Molecular Weight324.80 g/mol
Exact Mass324.09
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride
SMILESCl.NCC1(NS(=O)(=O)CCCC(F)(F)F)CCCC1
InChIInChI=1S/C10H19F3N2O2S.ClH/c11-10(12,13)6-3-7-18(16,17)15-9(8-14)4-1-2-5-9;/h15H,1-8,14H2;1H
InChIKeyLBAPMMVEWGTLPF-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
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;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride (CID 120875154) is N-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride is Cl.NCC1(NS(=O)(=O)CCCC(F)(F)F)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride?
The InChIKey is LBAPMMVEWGTLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S.ClH/c11-10(12,13)6-3-7-18(16,17)15-9(8-14)4-1-2-5-9;/h15H,1-8,14H2;1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide;hydrochloride has a molecular weight of 324.80 g/mol, XLogP of 1.94, 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;hydrochloride is sourced from PubChem (CID 120875154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).