(R)-N-[(1S)-1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide

C16H21FN2OS2 — CID 170699658

IUPAC(R)-N-[(1S)-1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCc1ncsc1-c1ccc([C@H](C)N[S@](=O)C(C)(C)C)c(F)c1
InChIInChI=1S/C16H21FN2OS2/c1-10(19-22(20)16(3,4)5)13-7-6-12(8-14(13)17)15-11(2)18-9-21-15/h6-10,19H,1-5H3/t10-,22+/m0/s1
InChIKeyNKMKXOANHLUVGA-MLMJSJRWSA-N
MW340.49 g/mol
LogP4.37
Rot. Bonds4

About (R)-N-[(1S)-1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S)-1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 170699658) has the molecular formula C16H21FN2OS2 and a molecular weight of 340.49 g/mol. Its IUPAC name is (R)-N-[(1S)-1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S)-1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID170699658
Molecular FormulaC16H21FN2OS2
Molecular Weight340.49 g/mol
Exact Mass340.11
IUPAC Name(R)-N-[(1S)-1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCc1ncsc1-c1ccc([C@H](C)N[S@](=O)C(C)(C)C)c(F)c1
InChIInChI=1S/C16H21FN2OS2/c1-10(19-22(20)16(3,4)5)13-7-6-12(8-14(13)17)15-11(2)18-9-21-15/h6-10,19H,1-5H3/t10-,22+/m0/s1
InChIKeyNKMKXOANHLUVGA-MLMJSJRWSA-N
XLogP4.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamic acid
CID 139531198
(R)-N-[(1S)-1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 90347565
2-methyl-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]but-3-enyl]propane-2-sulfinamide
CID 171105161
N-[(1S)-1-(2,5-difluoro-4-propan-2-ylphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 130273068
(R)-N-[(1S)-1-(2-fluoro-5-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 169081085
N-[(1S)-1-[2-fluoro-4-(1-methylcyclopropyl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 89479061
N-[(1R)-1-(2,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 138690058
(R)-N-[(1S)-1-(4-bromo-2,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 90347558
N-[(1R)-1-(5-bromo-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 126531678
N-[(1S)-1-[2,5-difluoro-4-(4-methylimidazol-1-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 90415655
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 68561497
tert-butyl N-[(1S)-1-[5-(4-methyl-1,3-thiazol-5-yl)-2-pyridinyl]ethyl]carbamate
CID 168896471

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S)-1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S)-1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide (CID 170699658) is (R)-N-[(1S)-1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S)-1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S)-1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide is Cc1ncsc1-c1ccc([C@H](C)N[S@](=O)C(C)(C)C)c(F)c1.
What is the InChIKey of (R)-N-[(1S)-1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is NKMKXOANHLUVGA-MLMJSJRWSA-N. The full InChI is InChI=1S/C16H21FN2OS2/c1-10(19-22(20)16(3,4)5)13-7-6-12(8-14(13)17)15-11(2)18-9-21-15/h6-10,19H,1-5H3/t10-,22+/m0/s1.
What are the key properties of (R)-N-[(1S)-1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1S)-1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 340.49 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S)-1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 170699658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).