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

C15H27ClF3N3O3S — CID 119324803

IUPACN-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)C2(N)CCCCC2)CC1.Cl
InChIInChI=1S/C15H26F3N3O3S.ClH/c1-25(23,24)21(11-15(16,17)18)12-5-9-20(10-6-12)13(22)14(19)7-3-2-4-8-14;/h12H,2-11,19H2,1H3;1H
InChIKeyWMDWJOHNGNMWNK-UHFFFAOYSA-N
MW421.91 g/mol
LogP1.88
Rot. Bonds4

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

N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride (PubChem CID 119324803) has the molecular formula C15H27ClF3N3O3S and a molecular weight of 421.91 g/mol. Its IUPAC name is N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride
PubChem CID119324803
Molecular FormulaC15H27ClF3N3O3S
Molecular Weight421.91 g/mol
Exact Mass421.14
IUPAC NameN-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)C2(N)CCCCC2)CC1.Cl
InChIInChI=1S/C15H26F3N3O3S.ClH/c1-25(23,24)21(11-15(16,17)18)12-5-9-20(10-6-12)13(22)14(19)7-3-2-4-8-14;/h12H,2-11,19H2,1H3;1H
InChIKeyWMDWJOHNGNMWNK-UHFFFAOYSA-N
XLogP1.88
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride?
The IUPAC name of N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride (CID 119324803) is N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride is CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)C2(N)CCCCC2)CC1.Cl.
What is the InChIKey of N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride?
The InChIKey is WMDWJOHNGNMWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N3O3S.ClH/c1-25(23,24)21(11-15(16,17)18)12-5-9-20(10-6-12)13(22)14(19)7-3-2-4-8-14;/h12H,2-11,19H2,1H3;1H.
What are the key properties of N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride?
N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride has a molecular weight of 421.91 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 119324803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).