N-[(1S)-1-(5-bromo-3-pyridinyl)-2-phenylethyl]-2-methylpropane-2-sulfinamide

C17H21BrN2OS — CID 154976789

IUPACN-[(1S)-1-(5-bromo-3-pyridinyl)-2-phenylethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H](Cc1ccccc1)c1cncc(Br)c1
InChIInChI=1S/C17H21BrN2OS/c1-17(2,3)22(21)20-16(9-13-7-5-4-6-8-13)14-10-15(18)12-19-11-14/h4-8,10-12,16,20H,9H2,1-3H3/t16-,22?/m0/s1
InChIKeySAMARIKUJBMBQL-CISYCMJJSA-N
MW381.34 g/mol
LogP4.18
Rot. Bonds5

About N-[(1S)-1-(5-bromo-3-pyridinyl)-2-phenylethyl]-2-methylpropane-2-sulfinamide

N-[(1S)-1-(5-bromo-3-pyridinyl)-2-phenylethyl]-2-methylpropane-2-sulfinamide (PubChem CID 154976789) has the molecular formula C17H21BrN2OS and a molecular weight of 381.34 g/mol. Its IUPAC name is N-[(1S)-1-(5-bromo-3-pyridinyl)-2-phenylethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-bromo-3-pyridinyl)-2-phenylethyl]-2-methylpropane-2-sulfinamide
PubChem CID154976789
Molecular FormulaC17H21BrN2OS
Molecular Weight381.34 g/mol
Exact Mass380.06
IUPAC NameN-[(1S)-1-(5-bromo-3-pyridinyl)-2-phenylethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H](Cc1ccccc1)c1cncc(Br)c1
InChIInChI=1S/C17H21BrN2OS/c1-17(2,3)22(21)20-16(9-13-7-5-4-6-8-13)14-10-15(18)12-19-11-14/h4-8,10-12,16,20H,9H2,1-3H3/t16-,22?/m0/s1
InChIKeySAMARIKUJBMBQL-CISYCMJJSA-N
XLogP4.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-(5-bromo-3-pyridinyl)-2-phenylethyl]-2-methylpropane-2-sulfinamide with MolForge

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Related Compounds

(S)-2-methyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propane-2-sulfinamide
CID 139254954
2-methyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]propane-2-sulfinamide
CID 102140135
N-(1,4-diphenylbutan-2-yl)-2-methylpropane-2-sulfinamide
CID 101420817
N-[(4-bromophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 89462500
N-[(1S)-1-(5-chloro-3-pyridinyl)but-3-enyl]-2-methylpropane-2-sulfinamide
CID 118277373
(R)-N-[(1S)-1-(2,5-dibromophenyl)-2-(3,5-difluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 163870414
(S)-2-methyl-N-[(1R)-3-oxo-1-phenylbutyl]propane-2-sulfinamide
CID 11288614
1-(5-bromo-3-pyridinyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83183662
2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propane-2-sulfinamide
CID 102512778
2-methyl-N-(1-phenyl-4-trimethylsilylbut-3-ynyl)propane-2-sulfinamide
CID 102173687
N-[3-amino-1-(5-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
CID 118391797
(R)-2-methyl-N-[(1S)-1-phenyl-4-trimethylsilylbut-3-ynyl]propane-2-sulfinamide
CID 134943259

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-bromo-3-pyridinyl)-2-phenylethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1S)-1-(5-bromo-3-pyridinyl)-2-phenylethyl]-2-methylpropane-2-sulfinamide (CID 154976789) is N-[(1S)-1-(5-bromo-3-pyridinyl)-2-phenylethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1S)-1-(5-bromo-3-pyridinyl)-2-phenylethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1S)-1-(5-bromo-3-pyridinyl)-2-phenylethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N[C@@H](Cc1ccccc1)c1cncc(Br)c1.
What is the InChIKey of N-[(1S)-1-(5-bromo-3-pyridinyl)-2-phenylethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is SAMARIKUJBMBQL-CISYCMJJSA-N. The full InChI is InChI=1S/C17H21BrN2OS/c1-17(2,3)22(21)20-16(9-13-7-5-4-6-8-13)14-10-15(18)12-19-11-14/h4-8,10-12,16,20H,9H2,1-3H3/t16-,22?/m0/s1.
What are the key properties of N-[(1S)-1-(5-bromo-3-pyridinyl)-2-phenylethyl]-2-methylpropane-2-sulfinamide?
N-[(1S)-1-(5-bromo-3-pyridinyl)-2-phenylethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 381.34 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-bromo-3-pyridinyl)-2-phenylethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 154976789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).