N-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]pyrimidin-4-amine

C16H17F3N4O2S — CID 171336242

IUPACN-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]pyrimidin-4-amine
SMILESO=S(=O)(c1ccccc1C(F)(F)F)N1CCC(Nc2ccncn2)CC1
InChIInChI=1S/C16H17F3N4O2S/c17-16(18,19)13-3-1-2-4-14(13)26(24,25)23-9-6-12(7-10-23)22-15-5-8-20-11-21-15/h1-5,8,11-12H,6-7,9-10H2,(H,20,21,22)
InChIKeySMQHYCYMCREGMQ-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.76
Rot. Bonds4

About N-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]pyrimidin-4-amine

N-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]pyrimidin-4-amine (PubChem CID 171336242) has the molecular formula C16H17F3N4O2S and a molecular weight of 386.40 g/mol. Its IUPAC name is N-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]pyrimidin-4-amine
PubChem CID171336242
Molecular FormulaC16H17F3N4O2S
Molecular Weight386.40 g/mol
Exact Mass386.10
IUPAC NameN-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]pyrimidin-4-amine
SMILESO=S(=O)(c1ccccc1C(F)(F)F)N1CCC(Nc2ccncn2)CC1
InChIInChI=1S/C16H17F3N4O2S/c17-16(18,19)13-3-1-2-4-14(13)26(24,25)23-9-6-12(7-10-23)22-15-5-8-20-11-21-15/h1-5,8,11-12H,6-7,9-10H2,(H,20,21,22)
InChIKeySMQHYCYMCREGMQ-UHFFFAOYSA-N
XLogP2.76
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride
CID 119980070
N-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanesulfonamide
CID 24678902
N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887254
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
CID 43394304
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887171
[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 43605303
1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylic acid
CID 2487327
[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol
CID 60956912
4-cyclopropyl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 72717221
3-bromo-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 80667317
N-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 171336312
N-[1-(1,2-benzoxazol-3-ylmethylsulfonyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887251

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]pyrimidin-4-amine (CID 171336242) is N-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]pyrimidin-4-amine is O=S(=O)(c1ccccc1C(F)(F)F)N1CCC(Nc2ccncn2)CC1.
What is the InChIKey of N-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]pyrimidin-4-amine?
The InChIKey is SMQHYCYMCREGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2S/c17-16(18,19)13-3-1-2-4-14(13)26(24,25)23-9-6-12(7-10-23)22-15-5-8-20-11-21-15/h1-5,8,11-12H,6-7,9-10H2,(H,20,21,22).
What are the key properties of N-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]pyrimidin-4-amine?
N-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]pyrimidin-4-amine has a molecular weight of 386.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 171336242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).