1-cyclopropylsulfonylpiperidin-4-amine;2,2,2-trifluoroacetic acid

C10H17F3N2O4S — CID 175545583

IUPAC1-cyclopropylsulfonylpiperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESNC1CCN(S(=O)(=O)C2CC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2O2S.C2HF3O2/c9-7-3-5-10(6-4-7)13(11,12)8-1-2-8;3-2(4,5)1(6)7/h7-8H,1-6,9H2;(H,6,7)
InChIKeyUMXHOSFTXWRFDO-UHFFFAOYSA-N
MW318.32 g/mol
LogP0.54
Rot. Bonds2

About 1-cyclopropylsulfonylpiperidin-4-amine;2,2,2-trifluoroacetic acid

1-cyclopropylsulfonylpiperidin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 175545583) has the molecular formula C10H17F3N2O4S and a molecular weight of 318.32 g/mol. Its IUPAC name is 1-cyclopropylsulfonylpiperidin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-cyclopropylsulfonylpiperidin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID175545583
Molecular FormulaC10H17F3N2O4S
Molecular Weight318.32 g/mol
Exact Mass318.09
IUPAC Name1-cyclopropylsulfonylpiperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESNC1CCN(S(=O)(=O)C2CC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2O2S.C2HF3O2/c9-7-3-5-10(6-4-7)13(11,12)8-1-2-8;3-2(4,5)1(6)7/h7-8H,1-6,9H2;(H,6,7)
InChIKeyUMXHOSFTXWRFDO-UHFFFAOYSA-N
XLogP0.54
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropanamine;bis(2,2,2-trifluoroacetic acid)
CID 162300046
cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid
CID 68531631
2-(1-cyclopropylsulfonylpiperidin-4-yl)acetic acid
CID 79608513
1-cyclopropylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 122687416
4-chloro-1-cyclopropylsulfonylpiperidine
CID 64552242
1-[4-(trifluoromethyl)cyclohexyl]sulfonylpyrrolidine-3-carboxylic acid
CID 122068417
4-(methylsulfonylmethyl)cyclohexan-1-amine;2,2,2-trifluoroacetic acid
CID 71062055
(3S)-1-phenylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 122677958
(4-aminocyclohexyl) methanesulfonate;2,2,2-trifluoroacetic acid
CID 159364072
1-(2-cyclopropylethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 174922919
4-tert-butyl-1-cyclopropylsulfonylpiperidine
CID 59732265
3-(difluoromethoxy)pyrrolidine-1-sulfonamide;2,2,2-trifluoroacetic acid
CID 175890531

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonylpiperidin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-cyclopropylsulfonylpiperidin-4-amine;2,2,2-trifluoroacetic acid (CID 175545583) is 1-cyclopropylsulfonylpiperidin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-cyclopropylsulfonylpiperidin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-cyclopropylsulfonylpiperidin-4-amine;2,2,2-trifluoroacetic acid is NC1CCN(S(=O)(=O)C2CC2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-cyclopropylsulfonylpiperidin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is UMXHOSFTXWRFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S.C2HF3O2/c9-7-3-5-10(6-4-7)13(11,12)8-1-2-8;3-2(4,5)1(6)7/h7-8H,1-6,9H2;(H,6,7).
What are the key properties of 1-cyclopropylsulfonylpiperidin-4-amine;2,2,2-trifluoroacetic acid?
1-cyclopropylsulfonylpiperidin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 318.32 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonylpiperidin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175545583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).