N-[(1R)-1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide

C17H21FN2OS — CID 134229704

IUPACN-[(1R)-1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](NS(=O)C(C)(C)C)c1ccnc(-c2ccc(F)cc2)c1
InChIInChI=1S/C17H21FN2OS/c1-12(20-22(21)17(2,3)4)14-9-10-19-16(11-14)13-5-7-15(18)8-6-13/h5-12,20H,1-4H3/t12-,22?/m1/s1
InChIKeyVHQDIZXALRPBJW-PMOHQLOOSA-N
MW320.43 g/mol
LogP4.00
Rot. Bonds4

About N-[(1R)-1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide

N-[(1R)-1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 134229704) has the molecular formula C17H21FN2OS and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[(1R)-1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1R)-1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID134229704
Molecular FormulaC17H21FN2OS
Molecular Weight320.43 g/mol
Exact Mass320.14
IUPAC NameN-[(1R)-1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](NS(=O)C(C)(C)C)c1ccnc(-c2ccc(F)cc2)c1
InChIInChI=1S/C17H21FN2OS/c1-12(20-22(21)17(2,3)4)14-9-10-19-16(11-14)13-5-7-15(18)8-6-13/h5-12,20H,1-4H3/t12-,22?/m1/s1
InChIKeyVHQDIZXALRPBJW-PMOHQLOOSA-N
XLogP4.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-N-[1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
CID 122491233
(R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 118230707
(S)-2-methyl-N-[1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide
CID 134237967
2-methyl-N-[(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethyl]propane-2-sulfinamide
CID 134229696
N-[(1S)-1-(2-bromo-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 86640807
(R)-N-[(1S)-1-(2-bromo-4-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 59278411
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 68561497
N-[(1R)-1-(2,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 138690058
(R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propane-2-sulfinamide
CID 156875474
(R)-N-[(1S)-1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 90347565
(R)-N-[(1R)-1-(4-chloro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 163278753
2-methyl-N-[(1R)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2-oxazol-5-yl]ethyl]propane-2-sulfinamide
CID 166760977

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1R)-1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide (CID 134229704) is N-[(1R)-1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1R)-1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1R)-1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide is C[C@@H](NS(=O)C(C)(C)C)c1ccnc(-c2ccc(F)cc2)c1.
What is the InChIKey of N-[(1R)-1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is VHQDIZXALRPBJW-PMOHQLOOSA-N. The full InChI is InChI=1S/C17H21FN2OS/c1-12(20-22(21)17(2,3)4)14-9-10-19-16(11-14)13-5-7-15(18)8-6-13/h5-12,20H,1-4H3/t12-,22?/m1/s1.
What are the key properties of N-[(1R)-1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide?
N-[(1R)-1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 320.43 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[2-(4-fluorophenyl)-4-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 134229704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).