1,1,1-trifluoro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-3-amine

C10H19F3N2O2S — CID 102882685

IUPAC1,1,1-trifluoro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-3-amine
SMILESCCC(N)C(N1CCS(=O)(=O)CC1C)C(F)(F)F
InChIInChI=1S/C10H19F3N2O2S/c1-3-8(14)9(10(11,12)13)15-4-5-18(16,17)6-7(15)2/h7-9H,3-6,14H2,1-2H3
InChIKeyVQNAMTNHLWLKQD-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.77
Rot. Bonds3

About 1,1,1-trifluoro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-3-amine

1,1,1-trifluoro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-3-amine (PubChem CID 102882685) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-3-amine
PubChem CID102882685
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC Name1,1,1-trifluoro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-3-amine
SMILESCCC(N)C(N1CCS(=O)(=O)CC1C)C(F)(F)F
InChIInChI=1S/C10H19F3N2O2S/c1-3-8(14)9(10(11,12)13)15-4-5-18(16,17)6-7(15)2/h7-9H,3-6,14H2,1-2H3
InChIKeyVQNAMTNHLWLKQD-UHFFFAOYSA-N
XLogP0.77
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,1,1-trifluoro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-3-amine with MolForge

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Related Compounds

3-(1,1-Difluoroethyl)-1-ethylsulfonylpiperazine
CID 137536927
4-(1,1-Dioxo-1,4-thiazinan-4-yl)-5-fluoro-1-pentylpiperidin-3-amine
CID 156092361
cis-(1S,6S)-2,2-difluoro-6-(1-propan-2-ylpiperidin-4-yl)sulfonylcyclohexan-1-amine
CID 163946893
N,N-dimethyl-2-[(3R)-3-(trifluoromethyl)piperazin-1-yl]sulfonylethanamine
CID 176837586
N,N-dimethyl-2-[3-(trifluoromethyl)piperazin-1-yl]sulfonylethanamine
CID 176837615
2-(1,1-Dioxo-1,4-thiazinan-4-yl)-3,3,3-trifluoropropan-1-amine
CID 43752746
2-N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine
CID 43752768
3-(1,1-Dioxo-1,4-thiazinan-4-yl)-4,4,4-trifluorobutan-1-amine
CID 43753172
N-(1,1-dioxothiolan-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43757115
N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43778677
N-(3-methylsulfonylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 54905511
N-(2-methylsulfonylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 54932638

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-3-amine?
The IUPAC name of 1,1,1-trifluoro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-3-amine (CID 102882685) is 1,1,1-trifluoro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-3-amine is CCC(N)C(N1CCS(=O)(=O)CC1C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-3-amine?
The InChIKey is VQNAMTNHLWLKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c1-3-8(14)9(10(11,12)13)15-4-5-18(16,17)6-7(15)2/h7-9H,3-6,14H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-3-amine?
1,1,1-trifluoro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-3-amine has a molecular weight of 288.34 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-3-amine is sourced from PubChem (CID 102882685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).