N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine

C18H20F3N3O2S — CID 133358464

IUPACN-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESO=S(=O)(c1ccc(CNc2cc(C(F)(F)F)ccn2)cc1)N1CCCCC1
InChIInChI=1S/C18H20F3N3O2S/c19-18(20,21)15-8-9-22-17(12-15)23-13-14-4-6-16(7-5-14)27(25,26)24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13H2,(H,22,23)
InChIKeyYXYLWXJXGPDVMI-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.89
Rot. Bonds5

About N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine

N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 133358464) has the molecular formula C18H20F3N3O2S and a molecular weight of 399.44 g/mol. Its IUPAC name is N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID133358464
Molecular FormulaC18H20F3N3O2S
Molecular Weight399.44 g/mol
Exact Mass399.12
IUPAC NameN-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESO=S(=O)(c1ccc(CNc2cc(C(F)(F)F)ccn2)cc1)N1CCCCC1
InChIInChI=1S/C18H20F3N3O2S/c19-18(20,21)15-8-9-22-17(12-15)23-13-14-4-6-16(7-5-14)27(25,26)24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13H2,(H,22,23)
InChIKeyYXYLWXJXGPDVMI-UHFFFAOYSA-N
XLogP3.89
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]benzoic acid
CID 66328048
2-[(4-pyrrolidin-1-ylsulfonylphenyl)methylamino]-5-(trifluoromethyl)benzonitrile
CID 133374221
N-[[4-(chloromethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 107233201
N-[(4-bromophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66329838
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 108759301
6-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyrimidin-4-amine
CID 108775001
N-[[4-(2-aminoethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330659
5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridin-2-amine
CID 9024535
3-(4-piperidin-1-ylsulfonylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 27052389
5-bromo-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine
CID 133373024
N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 133359241

Frequently Asked Questions

What is the IUPAC name of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine (CID 133358464) is N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine is O=S(=O)(c1ccc(CNc2cc(C(F)(F)F)ccn2)cc1)N1CCCCC1.
What is the InChIKey of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is YXYLWXJXGPDVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2S/c19-18(20,21)15-8-9-22-17(12-15)23-13-14-4-6-16(7-5-14)27(25,26)24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13H2,(H,22,23).
What are the key properties of N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 399.44 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 133358464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).