3-propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-amine

C10H19F3N2O2S — CID 83059127

IUPAC3-propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-amine
SMILESCCCC1(N)CN(S(=O)(=O)CCCC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O2S/c1-2-4-9(14)7-15(8-9)18(16,17)6-3-5-10(11,12)13/h2-8,14H2,1H3
InChIKeyRLMSDJMCDSJNNN-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.47
Rot. Bonds6

About 3-propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-amine

3-propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-amine (PubChem CID 83059127) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 3-propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-amine.

Molecular Properties

Compound Name3-propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-amine
PubChem CID83059127
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.33 g/mol
Exact Mass288.11
IUPAC Name3-propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-amine
SMILESCCCC1(N)CN(S(=O)(=O)CCCC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O2S/c1-2-4-9(14)7-15(8-9)18(16,17)6-3-5-10(11,12)13/h2-8,14H2,1H3
InChIKeyRLMSDJMCDSJNNN-UHFFFAOYSA-N
XLogP1.47
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(methylsulfonylmethylsulfonyl)-3-propylazetidin-3-amine
CID 82843500
1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carbaldehyde
CID 83058258
2-[4-(4,4,4-trifluorobutylsulfonyl)piperazin-1-yl]ethanimidamide
CID 83058675
1-(4-chlorobutylsulfonyl)-3-propylazetidin-3-ol
CID 107858937
3-ethyl-N-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine
CID 114507218
4,4-diethyl-1-(3,3,3-trifluoropropylsulfonyl)piperidine
CID 134225287
1,1,1-trifluoro-4-methylsulfonylbutane
CID 89466029
(3S)-1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-ol
CID 107225039
N,3-dimethyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine
CID 114498826
1-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]ethanone
CID 83057913
methyl 4-methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine-3-carboxylate
CID 83058106
4-(4,4,4-trifluorobutylsulfonyl)morpholine-2-carboxylic acid
CID 83067729

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-amine?
The IUPAC name of 3-propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-amine (CID 83059127) is 3-propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-amine.
What is the SMILES notation for 3-propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-amine?
The canonical SMILES for 3-propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-amine is CCCC1(N)CN(S(=O)(=O)CCCC(F)(F)F)C1.
What is the InChIKey of 3-propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-amine?
The InChIKey is RLMSDJMCDSJNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c1-2-4-9(14)7-15(8-9)18(16,17)6-3-5-10(11,12)13/h2-8,14H2,1H3.
What are the key properties of 3-propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-amine?
3-propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-amine has a molecular weight of 288.33 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-(4,4,4-trifluorobutylsulfonyl)azetidin-3-amine is sourced from PubChem (CID 83059127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).