N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide

C12H19FN2OS — CID 142702173

IUPACN-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
SMILESCC[C@H](NS(=O)C(C)(C)C)c1ccc(F)cn1
InChIInChI=1S/C12H19FN2OS/c1-5-10(15-17(16)12(2,3)4)11-7-6-9(13)8-14-11/h6-8,10,15H,5H2,1-4H3/t10-,17?/m0/s1
InChIKeyVRJBAHKKICOINZ-YOZOHBORSA-N
MW258.36 g/mol
LogP2.72
Rot. Bonds4

About N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide

N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide (PubChem CID 142702173) has the molecular formula C12H19FN2OS and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
PubChem CID142702173
Molecular FormulaC12H19FN2OS
Molecular Weight258.36 g/mol
Exact Mass258.12
IUPAC NameN-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
SMILESCC[C@H](NS(=O)C(C)(C)C)c1ccc(F)cn1
InChIInChI=1S/C12H19FN2OS/c1-5-10(15-17(16)12(2,3)4)11-7-6-9(13)8-14-11/h6-8,10,15H,5H2,1-4H3/t10-,17?/m0/s1
InChIKeyVRJBAHKKICOINZ-YOZOHBORSA-N
XLogP2.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-fluoro-2-pyridinyl)-2-methylsulfonylethyl]-2-methylpropane-2-sulfinamide
CID 68946827
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 68561497
(S)-N-[1-(2,4-difluorophenyl)propyl]-2-methylpropane-2-sulfinamide
CID 129130094
N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine
CID 113356846
(S)-2-methyl-N-[(1S)-1-(1,3-thiazol-4-yl)propyl]propane-2-sulfinamide
CID 155213946
1-(5-fluoro-2-pyridinyl)-N-(3-methylsulfinylpropyl)propan-1-amine
CID 113356899
N-[1-(2-bromopyrimidin-4-yl)propyl]-2-methylpropane-2-sulfinamide
CID 139519265
2-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpentanoic acid
CID 112586666
(S)-2-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)propyl]propane-2-sulfinamide
CID 67521466
2-tert-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 115938515
N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine
CID 115975737
(R)-N-[(1R)-1-(2-fluorophenyl)propyl]-2-methylpropane-2-sulfinamide
CID 99646735

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide (CID 142702173) is N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide is CC[C@H](NS(=O)C(C)(C)C)c1ccc(F)cn1.
What is the InChIKey of N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide?
The InChIKey is VRJBAHKKICOINZ-YOZOHBORSA-N. The full InChI is InChI=1S/C12H19FN2OS/c1-5-10(15-17(16)12(2,3)4)11-7-6-9(13)8-14-11/h6-8,10,15H,5H2,1-4H3/t10-,17?/m0/s1.
What are the key properties of N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide?
N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide has a molecular weight of 258.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-fluoro-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 142702173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).