N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide

C15H26F3N3O3S — CID 119785672

IUPACN-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)C2CCCC(N)C2)CC1
InChIInChI=1S/C15H26F3N3O3S/c1-25(23,24)21(10-15(16,17)18)13-5-7-20(8-6-13)14(22)11-3-2-4-12(19)9-11/h11-13H,2-10,19H2,1H3
InChIKeyDHZSNZBAUWFQTN-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.32
Rot. Bonds4

About N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide

N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide (PubChem CID 119785672) has the molecular formula C15H26F3N3O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
PubChem CID119785672
Molecular FormulaC15H26F3N3O3S
Molecular Weight385.45 g/mol
Exact Mass385.16
IUPAC NameN-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)C2CCCC(N)C2)CC1
InChIInChI=1S/C15H26F3N3O3S/c1-25(23,24)21(10-15(16,17)18)13-5-7-20(8-6-13)14(22)11-3-2-4-12(19)9-11/h11-13H,2-10,19H2,1H3
InChIKeyDHZSNZBAUWFQTN-UHFFFAOYSA-N
XLogP1.32
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide with MolForge

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Related Compounds

[(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride
CID 154910496
(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
N-[1-(3-methylbut-2-enoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 56789010
[(1R,3S)-3-aminocyclohexyl]-(4-hydroxypiperidin-1-yl)methanone
CID 59401514
N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride
CID 119324803
(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669540
1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylic acid
CID 63046092
1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399092
N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]propane-1-sulfonamide;hydrochloride
CID 119732732
N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 119785686
(3-aminocyclohexyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 63046105
(3-aminocyclohexyl)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119899892

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The IUPAC name of N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide (CID 119785672) is N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide.
What is the SMILES notation for N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The canonical SMILES for N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide is CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)C2CCCC(N)C2)CC1.
What is the InChIKey of N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The InChIKey is DHZSNZBAUWFQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N3O3S/c1-25(23,24)21(10-15(16,17)18)13-5-7-20(8-6-13)14(22)11-3-2-4-12(19)9-11/h11-13H,2-10,19H2,1H3.
What are the key properties of N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide?
N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide has a molecular weight of 385.45 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide is sourced from PubChem (CID 119785672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).