2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propane-2-sulfinamide

C11H18N2OS — CID 102512778

IUPAC2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propane-2-sulfinamide
SMILESC[C@H](NS(=O)C(C)(C)C)c1cccnc1
InChIInChI=1S/C11H18N2OS/c1-9(10-6-5-7-12-8-10)13-15(14)11(2,3)4/h5-9,13H,1-4H3/t9-,15?/m0/s1
InChIKeyPIKQPEFMRZBETL-HJULIUOESA-N
MW226.34 g/mol
LogP2.19
Rot. Bonds3

About 2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propane-2-sulfinamide

2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propane-2-sulfinamide (PubChem CID 102512778) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propane-2-sulfinamide
PubChem CID102512778
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propane-2-sulfinamide
SMILESC[C@H](NS(=O)C(C)(C)C)c1cccnc1
InChIInChI=1S/C11H18N2OS/c1-9(10-6-5-7-12-8-10)13-15(14)11(2,3)4/h5-9,13H,1-4H3/t9-,15?/m0/s1
InChIKeyPIKQPEFMRZBETL-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-[(1R)-1-pyridin-3-ylethyl]propane-2-sulfinamide
CID 102512780
2-methyl-N-[(1S)-1-(5-pyridin-3-yl-3-pyridinyl)ethyl]propane-2-sulfinamide
CID 165146618
2-methyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propane-2-sulfinamide
CID 134988458
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
2,2-dimethyl-N-(1-pyridin-3-ylethyl)propanamide
CID 60717480
N-[(S)-(4-fluoro-1-hydroxycyclohexyl)-pyridin-3-ylmethyl]-2-methylpropane-2-sulfinamide
CID 121281266
(R)-N-[(1S)-1-(6-tert-butyl-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide;sulfane
CID 159800437
3-[(S)-tert-butylsulfinyl]pyridine
CID 11644037
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
ethane;N-[(1S)-1-pyridin-3-ylethyl]formamide
CID 144904685
(S)-2-methyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]propane-2-sulfinamide
CID 156777027
3-(3,3-dimethylbutan-2-yl)pyridine
CID 59751404

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propane-2-sulfinamide (CID 102512778) is 2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propane-2-sulfinamide is C[C@H](NS(=O)C(C)(C)C)c1cccnc1.
What is the InChIKey of 2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propane-2-sulfinamide?
The InChIKey is PIKQPEFMRZBETL-HJULIUOESA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9(10-6-5-7-12-8-10)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-3-ylethyl]propane-2-sulfinamide?
2-methyl-N-[(1S)-1-pyridin-3-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-3-ylethyl]propane-2-sulfinamide is sourced from PubChem (CID 102512778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).