1-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide;hydrochloride

C13H25ClF3N3O2S — CID 120876969

IUPAC1-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(CC1CCCC1)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C13H24F3N3O2S.ClH/c14-13(15,16)12(19-7-5-17-6-8-19)9-18-22(20,21)10-11-3-1-2-4-11;/h11-12,17-18H,1-10H2;1H
InChIKeyRXGRZFFSKMVAGX-UHFFFAOYSA-N
MW379.88 g/mol
LogP1.35
Rot. Bonds6

About 1-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide;hydrochloride

1-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide;hydrochloride (PubChem CID 120876969) has the molecular formula C13H25ClF3N3O2S and a molecular weight of 379.88 g/mol. Its IUPAC name is 1-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide;hydrochloride
PubChem CID120876969
Molecular FormulaC13H25ClF3N3O2S
Molecular Weight379.88 g/mol
Exact Mass379.13
IUPAC Name1-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(CC1CCCC1)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C13H24F3N3O2S.ClH/c14-13(15,16)12(19-7-5-17-6-8-19)9-18-22(20,21)10-11-3-1-2-4-11;/h11-12,17-18H,1-10H2;1H
InChIKeyRXGRZFFSKMVAGX-UHFFFAOYSA-N
XLogP1.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.88
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide;hydrochloride?
The IUPAC name of 1-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide;hydrochloride (CID 120876969) is 1-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for 1-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide;hydrochloride?
The canonical SMILES for 1-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide;hydrochloride is Cl.O=S(=O)(CC1CCCC1)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 1-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide;hydrochloride?
The InChIKey is RXGRZFFSKMVAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O2S.ClH/c14-13(15,16)12(19-7-5-17-6-8-19)9-18-22(20,21)10-11-3-1-2-4-11;/h11-12,17-18H,1-10H2;1H.
What are the key properties of 1-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide;hydrochloride?
1-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide;hydrochloride has a molecular weight of 379.88 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 120876969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).