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

C11H18N2OS — CID 102512777

IUPAC2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propane-2-sulfinamide
SMILESC[C@H](NS(=O)C(C)(C)C)c1ccccn1
InChIInChI=1S/C11H18N2OS/c1-9(10-7-5-6-8-12-10)13-15(14)11(2,3)4/h5-9,13H,1-4H3/t9-,15?/m0/s1
InChIKeyXZSYGIIHHQUBMF-HJULIUOESA-N
MW226.34 g/mol
LogP2.19
Rot. Bonds3

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

2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propane-2-sulfinamide (PubChem CID 102512777) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propane-2-sulfinamide
PubChem CID102512777
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propane-2-sulfinamide
SMILESC[C@H](NS(=O)C(C)(C)C)c1ccccn1
InChIInChI=1S/C11H18N2OS/c1-9(10-7-5-6-8-12-10)13-15(14)11(2,3)4/h5-9,13H,1-4H3/t9-,15?/m0/s1
InChIKeyXZSYGIIHHQUBMF-HJULIUOESA-N
XLogP2.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(1S)-2,2,2-trichloro-1-pyridin-2-ylethyl]propane-2-sulfinamide
CID 102484760
(R)-N-[(1R)-1-(4-chloro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 163278753
(S)-N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-3-pyridin-2-ylpentan-2-yl]-2-methylpropane-2-sulfinamide
CID 140879441
2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propane-2-sulfinamide
CID 102512778
(R)-2-methyl-N-[(1R)-1-(1,3-oxazol-4-yl)ethyl]propane-2-sulfinamide
CID 129387650
2,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 60629083
2-(tert-butylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81406863
(S)-N-[(1R)-1-(2-amino-5-pyridin-2-yl-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 127262603
2-methyl-N-[1-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]propane-2-sulfinamide
CID 67509270
2-bromo-2-methyl-N-(1-pyridin-2-ylethyl)propanamide
CID 114327632
N-[(1R)-1-pyridin-2-ylethyl]hydroxylamine
CID 51441798
N-[(1R)-1-pyridin-2-ylethyl]formamide
CID 40637873

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propane-2-sulfinamide (CID 102512777) is 2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propane-2-sulfinamide is C[C@H](NS(=O)C(C)(C)C)c1ccccn1.
What is the InChIKey of 2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propane-2-sulfinamide?
The InChIKey is XZSYGIIHHQUBMF-HJULIUOESA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9(10-7-5-6-8-12-10)13-15(14)11(2,3)4/h5-9,13H,1-4H3/t9-,15?/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propane-2-sulfinamide?
2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propane-2-sulfinamide has a molecular weight of 226.34 g/mol, XLogP of 2.19, 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)-1-pyridin-2-ylethyl]propane-2-sulfinamide is sourced from PubChem (CID 102512777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).