2-methyl-N-[(1S)-2,2,2-trichloro-1-pyridin-2-ylethyl]propane-2-sulfinamide

C11H15Cl3N2OS — CID 102484760

IUPAC2-methyl-N-[(1S)-2,2,2-trichloro-1-pyridin-2-ylethyl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H](c1ccccn1)C(Cl)(Cl)Cl
InChIInChI=1S/C11H15Cl3N2OS/c1-10(2,3)18(17)16-9(11(12,13)14)8-6-4-5-7-15-8/h4-7,9,16H,1-3H3/t9-,18?/m0/s1
InChIKeyLFIYWWGKSOPNMX-JUGYALQGSA-N
MW329.68 g/mol
LogP3.54
Rot. Bonds3

About 2-methyl-N-[(1S)-2,2,2-trichloro-1-pyridin-2-ylethyl]propane-2-sulfinamide

2-methyl-N-[(1S)-2,2,2-trichloro-1-pyridin-2-ylethyl]propane-2-sulfinamide (PubChem CID 102484760) has the molecular formula C11H15Cl3N2OS and a molecular weight of 329.68 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-2,2,2-trichloro-1-pyridin-2-ylethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-2,2,2-trichloro-1-pyridin-2-ylethyl]propane-2-sulfinamide
PubChem CID102484760
Molecular FormulaC11H15Cl3N2OS
Molecular Weight329.68 g/mol
Exact Mass328.00
IUPAC Name2-methyl-N-[(1S)-2,2,2-trichloro-1-pyridin-2-ylethyl]propane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H](c1ccccn1)C(Cl)(Cl)Cl
InChIInChI=1S/C11H15Cl3N2OS/c1-10(2,3)18(17)16-9(11(12,13)14)8-6-4-5-7-15-8/h4-7,9,16H,1-3H3/t9-,18?/m0/s1
InChIKeyLFIYWWGKSOPNMX-JUGYALQGSA-N
XLogP3.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.68
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propane-2-sulfinamide
CID 102512777
2-[2,2,2-trifluoro-1-(sulfinoamino)ethyl]pyridine
CID 176830597
(S)-N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-3-pyridin-2-ylpentan-2-yl]-2-methylpropane-2-sulfinamide
CID 140879441
(R)-N-[(1R)-1-(4-chloro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 163278753
N-[(1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-2-pyridin-2-ylethyl]-2-methylpropane-2-sulfinamide
CID 135181886
2-(1-chloro-2,2-dimethylpropyl)pyridine
CID 146396915
(R)-N-[(2R,4S)-4-hydroxy-1-pyridin-2-ylpentan-2-yl]-2-methylpropane-2-sulfinamide
CID 140879318
3,3-dimethyl-4-(methylamino)-4-pyridin-2-ylbutanoic acid
CID 116953575
2,2-dimethyl-N-propyl-1-pyridin-2-ylpropan-1-amine
CID 62395548
2-methyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propane-2-sulfinamide
CID 134988458
2,2,2-trichloro-1-pyridin-2-ylethanol
CID 3066911
2-methyl-N-[(1S)-2,2,2-trifluoro-1-(2-methylphenyl)ethyl]propane-2-sulfinamide
CID 58570968

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-2,2,2-trichloro-1-pyridin-2-ylethyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(1S)-2,2,2-trichloro-1-pyridin-2-ylethyl]propane-2-sulfinamide (CID 102484760) is 2-methyl-N-[(1S)-2,2,2-trichloro-1-pyridin-2-ylethyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(1S)-2,2,2-trichloro-1-pyridin-2-ylethyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(1S)-2,2,2-trichloro-1-pyridin-2-ylethyl]propane-2-sulfinamide is CC(C)(C)S(=O)N[C@@H](c1ccccn1)C(Cl)(Cl)Cl.
What is the InChIKey of 2-methyl-N-[(1S)-2,2,2-trichloro-1-pyridin-2-ylethyl]propane-2-sulfinamide?
The InChIKey is LFIYWWGKSOPNMX-JUGYALQGSA-N. The full InChI is InChI=1S/C11H15Cl3N2OS/c1-10(2,3)18(17)16-9(11(12,13)14)8-6-4-5-7-15-8/h4-7,9,16H,1-3H3/t9-,18?/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-2,2,2-trichloro-1-pyridin-2-ylethyl]propane-2-sulfinamide?
2-methyl-N-[(1S)-2,2,2-trichloro-1-pyridin-2-ylethyl]propane-2-sulfinamide has a molecular weight of 329.68 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-2,2,2-trichloro-1-pyridin-2-ylethyl]propane-2-sulfinamide is sourced from PubChem (CID 102484760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).