N-[(3S)-1-(3-amino-5-methylhexanoyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide

C22H32F3N3O3S — CID 24877270

IUPACN-[(3S)-1-(3-amino-5-methylhexanoyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)CC(N)CC(=O)N1CCC[C@H](N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C22H32F3N3O3S/c1-15(2)11-17(26)13-21(29)27-10-4-6-19(14-27)28(18-8-9-18)32(30,31)20-7-3-5-16(12-20)22(23,24)25/h3,5,7,12,15,17-19H,4,6,8-11,13-14,26H2,1-2H3/t17?,19-/m0/s1
InChIKeyGECXLAKMFRLNRP-NNBQYGFHSA-N
MW475.58 g/mol
LogP3.61
Rot. Bonds8

About N-[(3S)-1-(3-amino-5-methylhexanoyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide

N-[(3S)-1-(3-amino-5-methylhexanoyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 24877270) has the molecular formula C22H32F3N3O3S and a molecular weight of 475.58 g/mol. Its IUPAC name is N-[(3S)-1-(3-amino-5-methylhexanoyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-(3-amino-5-methylhexanoyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID24877270
Molecular FormulaC22H32F3N3O3S
Molecular Weight475.58 g/mol
Exact Mass475.21
IUPAC NameN-[(3S)-1-(3-amino-5-methylhexanoyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(C)CC(N)CC(=O)N1CCC[C@H](N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C22H32F3N3O3S/c1-15(2)11-17(26)13-21(29)27-10-4-6-19(14-27)28(18-8-9-18)32(30,31)20-7-3-5-16(12-20)22(23,24)25/h3,5,7,12,15,17-19H,4,6,8-11,13-14,26H2,1-2H3/t17?,19-/m0/s1
InChIKeyGECXLAKMFRLNRP-NNBQYGFHSA-N
XLogP3.61
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.58
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-amino-5-methylhexanoyl)-2-iodopiperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide
CID 69406115
N-cyclopropyl-N-[1-[(2S)-4-methyl-2-(3-methylbutylamino)pentanoyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 24877155
2-chloroacetyl chloride;N-[1-(2-chloroacetyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-[1-[2-(2-methylpropylamino)acetyl]piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 161040678
2-methoxyethyl 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 23642055
N-cyclopropyl-N-[1-(4,4-difluorocyclohexanecarbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 23642157
ethyl 2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]-2-methylpropanoate
CID 59614786
N-methyl-N-[1-[(2R)-4-methyl-2-(methylamino)pentanoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11669562
N-[1-[2-(3-hydroxypiperidin-1-yl)acetyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide
CID 24860820
1-[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 124690087
3-methyl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]butan-1-one
CID 143785705
1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 125119581
methyl 2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]benzoate
CID 25235371

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3-amino-5-methylhexanoyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(3S)-1-(3-amino-5-methylhexanoyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide (CID 24877270) is N-[(3S)-1-(3-amino-5-methylhexanoyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(3S)-1-(3-amino-5-methylhexanoyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(3S)-1-(3-amino-5-methylhexanoyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide is CC(C)CC(N)CC(=O)N1CCC[C@H](N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-[(3S)-1-(3-amino-5-methylhexanoyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is GECXLAKMFRLNRP-NNBQYGFHSA-N. The full InChI is InChI=1S/C22H32F3N3O3S/c1-15(2)11-17(26)13-21(29)27-10-4-6-19(14-27)28(18-8-9-18)32(30,31)20-7-3-5-16(12-20)22(23,24)25/h3,5,7,12,15,17-19H,4,6,8-11,13-14,26H2,1-2H3/t17?,19-/m0/s1.
What are the key properties of N-[(3S)-1-(3-amino-5-methylhexanoyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide?
N-[(3S)-1-(3-amino-5-methylhexanoyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 475.58 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(3-amino-5-methylhexanoyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 24877270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).