ACCLZYYSQWLSKG-UHFFFAOYSA-N

Name: ACCLZYYSQWLSKG-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₅F₃N₂S — CID 135228327

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-(3-methylbutan-2-ylsulfanyl)-3-(trifluoromethyl)pyridin-2-amine

SMILESCC(C)C(C)Sc1ccnc(N)c1C(F)(F)F

InChIInChI=1S/C11H15F3N2S/c1-6(2)7(3)17-8-4-5-16-10(15)9(8)11(12,13)14/h4-7H,1-3H3,(H2,15,16)

InChIKeyACCLZYYSQWLSKG-UHFFFAOYSA-N

MW264.32 g/mol

LogP3.82

Rot. Bonds3

About ACCLZYYSQWLSKG-UHFFFAOYSA-N

ACCLZYYSQWLSKG-UHFFFAOYSA-N (PubChem CID 135228327) has the molecular formula C₁₁H₁₅F₃N₂S and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-(3-methylbutan-2-ylsulfanyl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name	ACCLZYYSQWLSKG-UHFFFAOYSA-N
PubChem CID	135228327
Molecular Formula	C₁₁H₁₅F₃N₂S
Molecular Weight	264.32 g/mol
Exact Mass	264.09
IUPAC Name	4-(3-methylbutan-2-ylsulfanyl)-3-(trifluoromethyl)pyridin-2-amine
SMILES	CC(C)C(C)Sc1ccnc(N)c1C(F)(F)F
InChI	InChI=1S/C11H15F3N2S/c1-6(2)7(3)17-8-4-5-16-10(15)9(8)11(12,13)14/h4-7H,1-3H3,(H2,15,16)
InChIKey	ACCLZYYSQWLSKG-UHFFFAOYSA-N
XLogP	3.82
TPSA	38.91 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	264.32
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of ACCLZYYSQWLSKG-UHFFFAOYSA-N?

The IUPAC name of ACCLZYYSQWLSKG-UHFFFAOYSA-N (CID 135228327) is 4-(3-methylbutan-2-ylsulfanyl)-3-(trifluoromethyl)pyridin-2-amine.

What is the SMILES notation for ACCLZYYSQWLSKG-UHFFFAOYSA-N?

The canonical SMILES for ACCLZYYSQWLSKG-UHFFFAOYSA-N is CC(C)C(C)Sc1ccnc(N)c1C(F)(F)F.

What is the InChIKey of ACCLZYYSQWLSKG-UHFFFAOYSA-N?

The InChIKey is ACCLZYYSQWLSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2S/c1-6(2)7(3)17-8-4-5-16-10(15)9(8)11(12,13)14/h4-7H,1-3H3,(H2,15,16).

What are the key properties of ACCLZYYSQWLSKG-UHFFFAOYSA-N?

ACCLZYYSQWLSKG-UHFFFAOYSA-N has a molecular weight of 264.32 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ACCLZYYSQWLSKG-UHFFFAOYSA-N is sourced from PubChem (CID 135228327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 135228327 — identifiers, structure, computed properties (public domain)

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