3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]pyridin-2-amine

C17H24F3N3O2S — CID 133333855

IUPAC3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]pyridin-2-amine
SMILESO=S(=O)(c1cccnc1NC1CCCC(C(F)(F)F)C1)N1CCCCC1
InChIInChI=1S/C17H24F3N3O2S/c18-17(19,20)13-6-4-7-14(12-13)22-16-15(8-5-9-21-16)26(24,25)23-10-2-1-3-11-23/h5,8-9,13-14H,1-4,6-7,10-12H2,(H,21,22)
InChIKeyQYUSROFCXZJTNQ-UHFFFAOYSA-N
MW391.46 g/mol
LogP3.79
Rot. Bonds4

About 3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]pyridin-2-amine

3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]pyridin-2-amine (PubChem CID 133333855) has the molecular formula C17H24F3N3O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is 3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]pyridin-2-amine.

Molecular Properties

Compound Name3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]pyridin-2-amine
PubChem CID133333855
Molecular FormulaC17H24F3N3O2S
Molecular Weight391.46 g/mol
Exact Mass391.15
IUPAC Name3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]pyridin-2-amine
SMILESO=S(=O)(c1cccnc1NC1CCCC(C(F)(F)F)C1)N1CCCCC1
InChIInChI=1S/C17H24F3N3O2S/c18-17(19,20)13-6-4-7-14(12-13)22-16-15(8-5-9-21-16)26(24,25)23-10-2-1-3-11-23/h5,8-9,13-14H,1-4,6-7,10-12H2,(H,21,22)
InChIKeyQYUSROFCXZJTNQ-UHFFFAOYSA-N
XLogP3.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]pyridin-2-amine?
The IUPAC name of 3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]pyridin-2-amine (CID 133333855) is 3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]pyridin-2-amine.
What is the SMILES notation for 3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]pyridin-2-amine?
The canonical SMILES for 3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]pyridin-2-amine is O=S(=O)(c1cccnc1NC1CCCC(C(F)(F)F)C1)N1CCCCC1.
What is the InChIKey of 3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]pyridin-2-amine?
The InChIKey is QYUSROFCXZJTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O2S/c18-17(19,20)13-6-4-7-14(12-13)22-16-15(8-5-9-21-16)26(24,25)23-10-2-1-3-11-23/h5,8-9,13-14H,1-4,6-7,10-12H2,(H,21,22).
What are the key properties of 3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]pyridin-2-amine?
3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]pyridin-2-amine has a molecular weight of 391.46 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]pyridin-2-amine is sourced from PubChem (CID 133333855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).