2-methyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]butyl]propane-2-sulfinamide

C14H21F3N2OS — CID 76787445

IUPAC2-methyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]butyl]propane-2-sulfinamide
SMILESCCCC(NS(=O)C(C)(C)C)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C14H21F3N2OS/c1-5-7-11(19-21(20)13(2,3)4)10-8-6-9-12(18-10)14(15,16)17/h6,8-9,11,19H,5,7H2,1-4H3
InChIKeyRTIVOJSUAYOQRQ-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.99
Rot. Bonds5

About 2-methyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]butyl]propane-2-sulfinamide

2-methyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]butyl]propane-2-sulfinamide (PubChem CID 76787445) has the molecular formula C14H21F3N2OS and a molecular weight of 322.40 g/mol. Its IUPAC name is 2-methyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]butyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]butyl]propane-2-sulfinamide
PubChem CID76787445
Molecular FormulaC14H21F3N2OS
Molecular Weight322.40 g/mol
Exact Mass322.13
IUPAC Name2-methyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]butyl]propane-2-sulfinamide
SMILESCCCC(NS(=O)C(C)(C)C)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C14H21F3N2OS/c1-5-7-11(19-21(20)13(2,3)4)10-8-6-9-12(18-10)14(15,16)17/h6,8-9,11,19H,5,7H2,1-4H3
InChIKeyRTIVOJSUAYOQRQ-UHFFFAOYSA-N
XLogP3.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]butyl]propane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]butyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]butyl]propane-2-sulfinamide (CID 76787445) is 2-methyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]butyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]butyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]butyl]propane-2-sulfinamide is CCCC(NS(=O)C(C)(C)C)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]butyl]propane-2-sulfinamide?
The InChIKey is RTIVOJSUAYOQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2OS/c1-5-7-11(19-21(20)13(2,3)4)10-8-6-9-12(18-10)14(15,16)17/h6,8-9,11,19H,5,7H2,1-4H3.
What are the key properties of 2-methyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]butyl]propane-2-sulfinamide?
2-methyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]butyl]propane-2-sulfinamide has a molecular weight of 322.40 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]butyl]propane-2-sulfinamide is sourced from PubChem (CID 76787445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).