N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine

C16H22F3N3O3S — CID 133311693

IUPACN-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
SMILESO=S(=O)(C1CCOCC1)N1CCC(Nc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C16H22F3N3O3S/c17-16(18,19)12-1-2-15(20-11-12)21-13-3-7-22(8-4-13)26(23,24)14-5-9-25-10-6-14/h1-2,11,13-14H,3-10H2,(H,20,21)
InChIKeyKKLGQUPQVVJQNK-UHFFFAOYSA-N
MW393.43 g/mol
LogP2.49
Rot. Bonds4

About N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine

N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 133311693) has the molecular formula C16H22F3N3O3S and a molecular weight of 393.43 g/mol. Its IUPAC name is N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID133311693
Molecular FormulaC16H22F3N3O3S
Molecular Weight393.43 g/mol
Exact Mass393.13
IUPAC NameN-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
SMILESO=S(=O)(C1CCOCC1)N1CCC(Nc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C16H22F3N3O3S/c17-16(18,19)12-1-2-15(20-11-12)21-13-3-7-22(8-4-13)26(23,24)14-5-9-25-10-6-14/h1-2,11,13-14H,3-10H2,(H,20,21)
InChIKeyKKLGQUPQVVJQNK-UHFFFAOYSA-N
XLogP2.49
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine (CID 133311693) is N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine is O=S(=O)(C1CCOCC1)N1CCC(Nc2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is KKLGQUPQVVJQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O3S/c17-16(18,19)12-1-2-15(20-11-12)21-13-3-7-22(8-4-13)26(23,24)14-5-9-25-10-6-14/h1-2,11,13-14H,3-10H2,(H,20,21).
What are the key properties of N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine?
N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 393.43 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 133311693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).