1-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide

C12H22F3N3O3S — CID 120778812

IUPAC1-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C12H22F3N3O3S/c13-12(14,15)11(18-5-3-16-4-6-18)8-17-22(19,20)9-10-2-1-7-21-10/h10-11,16-17H,1-9H2
InChIKeyZBMMKNCMEIGAEP-UHFFFAOYSA-N
MW345.39 g/mol
LogP-0.08
Rot. Bonds6

About 1-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide

1-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide (PubChem CID 120778812) has the molecular formula C12H22F3N3O3S and a molecular weight of 345.39 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide
PubChem CID120778812
Molecular FormulaC12H22F3N3O3S
Molecular Weight345.39 g/mol
Exact Mass345.13
IUPAC Name1-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide
SMILESO=S(=O)(CC1CCCO1)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C12H22F3N3O3S/c13-12(14,15)11(18-5-3-16-4-6-18)8-17-22(19,20)9-10-2-1-7-21-10/h10-11,16-17H,1-9H2
InChIKeyZBMMKNCMEIGAEP-UHFFFAOYSA-N
XLogP-0.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide?
The IUPAC name of 1-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide (CID 120778812) is 1-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide.
What is the SMILES notation for 1-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide?
The canonical SMILES for 1-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide is O=S(=O)(CC1CCCO1)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 1-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide?
The InChIKey is ZBMMKNCMEIGAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O3S/c13-12(14,15)11(18-5-3-16-4-6-18)8-17-22(19,20)9-10-2-1-7-21-10/h10-11,16-17H,1-9H2.
What are the key properties of 1-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide?
1-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide has a molecular weight of 345.39 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide is sourced from PubChem (CID 120778812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).