1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoro-N-methylpentan-2-amine

C10H18F3NO2S — CID 105156458

IUPAC1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoro-N-methylpentan-2-amine
SMILESCNC(CCC(F)(F)F)CC1CCS(=O)(=O)C1
InChIInChI=1S/C10H18F3NO2S/c1-14-9(2-4-10(11,12)13)6-8-3-5-17(15,16)7-8/h8-9,14H,2-7H2,1H3
InChIKeyPFMIMKCIBQUUJX-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.74
Rot. Bonds5

About 1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoro-N-methylpentan-2-amine

1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoro-N-methylpentan-2-amine (PubChem CID 105156458) has the molecular formula C10H18F3NO2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoro-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoro-N-methylpentan-2-amine
PubChem CID105156458
Molecular FormulaC10H18F3NO2S
Molecular Weight273.32 g/mol
Exact Mass273.10
IUPAC Name1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoro-N-methylpentan-2-amine
SMILESCNC(CCC(F)(F)F)CC1CCS(=O)(=O)C1
InChIInChI=1S/C10H18F3NO2S/c1-14-9(2-4-10(11,12)13)6-8-3-5-17(15,16)7-8/h8-9,14H,2-7H2,1H3
InChIKeyPFMIMKCIBQUUJX-UHFFFAOYSA-N
XLogP1.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoro-N-methylpentan-2-amine with MolForge

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Related Compounds

(3S)-N-(4-ethylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 28435939
2-Methyl-3-propan-2-ylsulfonyl-4-propyl-6-(trifluoromethyl)piperidine
CID 156508692
3-Butan-2-yl-2-methyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine
CID 167269058
1,1-dioxo-N-[3-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 55158734
1,1-dioxo-N-[2-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 55160850
1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 63162770
N-(1-methylsulfonylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64629735
N-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 64629737
N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64630557
N-(3-methylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754878
3-methyl-1,1-dioxo-N-[4-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 64755065
N-[(1,1-dioxothiolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755080

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoro-N-methylpentan-2-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoro-N-methylpentan-2-amine (CID 105156458) is 1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoro-N-methylpentan-2-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoro-N-methylpentan-2-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoro-N-methylpentan-2-amine is CNC(CCC(F)(F)F)CC1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoro-N-methylpentan-2-amine?
The InChIKey is PFMIMKCIBQUUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2S/c1-14-9(2-4-10(11,12)13)6-8-3-5-17(15,16)7-8/h8-9,14H,2-7H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoro-N-methylpentan-2-amine?
1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoro-N-methylpentan-2-amine has a molecular weight of 273.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoro-N-methylpentan-2-amine is sourced from PubChem (CID 105156458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).