2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanethioamide

C12H23F3N2S — CID 65259742

IUPAC2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanethioamide
SMILESCCCN(CCCC(C)(C)C(N)=S)CC(F)(F)F
InChIInChI=1S/C12H23F3N2S/c1-4-7-17(9-12(13,14)15)8-5-6-11(2,3)10(16)18/h4-9H2,1-3H3,(H2,16,18)
InChIKeyMVFAXWIEGRSYHU-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.35
Rot. Bonds8

About 2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanethioamide

2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanethioamide (PubChem CID 65259742) has the molecular formula C12H23F3N2S and a molecular weight of 284.39 g/mol. Its IUPAC name is 2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanethioamide.

Molecular Properties

Compound Name2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanethioamide
PubChem CID65259742
Molecular FormulaC12H23F3N2S
Molecular Weight284.39 g/mol
Exact Mass284.15
IUPAC Name2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanethioamide
SMILESCCCN(CCCC(C)(C)C(N)=S)CC(F)(F)F
InChIInChI=1S/C12H23F3N2S/c1-4-7-17(9-12(13,14)15)8-5-6-11(2,3)10(16)18/h4-9H2,1-3H3,(H2,16,18)
InChIKeyMVFAXWIEGRSYHU-UHFFFAOYSA-N
XLogP3.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid
CID 106713942
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,2-dimethylpentanethioamide
CID 79380688
5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanethioamide
CID 65260345
2,2-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 62272694
2-(ethylamino)-2-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexan-1-ol
CID 64825496
3-[propyl(2,2,2-trifluoroethyl)amino]propane-1-sulfonamide
CID 112689923
N-(2-bromoethyl)-4,4,4-trifluoro-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 107488246
5-[2-hydroxyethyl(propyl)amino]-2,2-dimethylpentanimidamide
CID 65258077
5-[5-hydroxypentyl(methyl)amino]-2,2-dimethylpentanethioamide
CID 107199838
5-[ethyl(oxolan-2-ylmethyl)amino]-2,2-dimethylpentanethioamide
CID 65260037
2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]pentanethioamide
CID 65260199
2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62255881

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanethioamide?
The IUPAC name of 2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanethioamide (CID 65259742) is 2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanethioamide.
What is the SMILES notation for 2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanethioamide?
The canonical SMILES for 2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanethioamide is CCCN(CCCC(C)(C)C(N)=S)CC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanethioamide?
The InChIKey is MVFAXWIEGRSYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2S/c1-4-7-17(9-12(13,14)15)8-5-6-11(2,3)10(16)18/h4-9H2,1-3H3,(H2,16,18).
What are the key properties of 2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanethioamide?
2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanethioamide has a molecular weight of 284.39 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanethioamide is sourced from PubChem (CID 65259742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).