3,3,3-trifluoro-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]propan-1-amine

C9H17F3N2O2S — CID 103366490

IUPAC3,3,3-trifluoro-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]propan-1-amine
SMILESCC1CS(=O)(=O)CCN1CC(CN)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c1-7-6-17(15,16)3-2-14(7)5-8(4-13)9(10,11)12/h7-8H,2-6,13H2,1H3
InChIKeyUHHYTLBDDDXPLG-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.24
Rot. Bonds3

About 3,3,3-trifluoro-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]propan-1-amine

3,3,3-trifluoro-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]propan-1-amine (PubChem CID 103366490) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]propan-1-amine
PubChem CID103366490
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC Name3,3,3-trifluoro-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]propan-1-amine
SMILESCC1CS(=O)(=O)CCN1CC(CN)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c1-7-6-17(15,16)3-2-14(7)5-8(4-13)9(10,11)12/h7-8H,2-6,13H2,1H3
InChIKeyUHHYTLBDDDXPLG-UHFFFAOYSA-N
XLogP0.24
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-amine
CID 102884252
4,4,4-trifluoro-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine
CID 102882879
2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 103878593
1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopropan-1-amine
CID 102884145
(3R)-4-[(3S)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 129348667
7-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)heptan-1-amine
CID 102884168
5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pentan-1-amine
CID 102882862
2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pentane-1-thiol
CID 102887575
1-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclohexan-1-amine
CID 102884121
4-(2-chloroethyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885899
2-methyl-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
CID 102882706
ethyl 2-(methylamino)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanoate
CID 102886224

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]propan-1-amine (CID 103366490) is 3,3,3-trifluoro-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]propan-1-amine is CC1CS(=O)(=O)CCN1CC(CN)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]propan-1-amine?
The InChIKey is UHHYTLBDDDXPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c1-7-6-17(15,16)3-2-14(7)5-8(4-13)9(10,11)12/h7-8H,2-6,13H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]propan-1-amine?
3,3,3-trifluoro-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]propan-1-amine has a molecular weight of 274.31 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 103366490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).