N-[(1R)-1-(6-bromo-2-pyridinyl)butyl]-2-methylpropane-2-sulfinamide

C13H21BrN2OS — CID 118663891

IUPACN-[(1R)-1-(6-bromo-2-pyridinyl)butyl]-2-methylpropane-2-sulfinamide
SMILESCCC[C@@H](NS(=O)C(C)(C)C)c1cccc(Br)n1
InChIInChI=1S/C13H21BrN2OS/c1-5-7-11(16-18(17)13(2,3)4)10-8-6-9-12(14)15-10/h6,8-9,11,16H,5,7H2,1-4H3/t11-,18?/m1/s1
InChIKeyBUBQYKKIFHJFQB-SSJGJQFISA-N
MW333.30 g/mol
LogP3.74
Rot. Bonds5

About N-[(1R)-1-(6-bromo-2-pyridinyl)butyl]-2-methylpropane-2-sulfinamide

N-[(1R)-1-(6-bromo-2-pyridinyl)butyl]-2-methylpropane-2-sulfinamide (PubChem CID 118663891) has the molecular formula C13H21BrN2OS and a molecular weight of 333.30 g/mol. Its IUPAC name is N-[(1R)-1-(6-bromo-2-pyridinyl)butyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1R)-1-(6-bromo-2-pyridinyl)butyl]-2-methylpropane-2-sulfinamide
PubChem CID118663891
Molecular FormulaC13H21BrN2OS
Molecular Weight333.30 g/mol
Exact Mass332.06
IUPAC NameN-[(1R)-1-(6-bromo-2-pyridinyl)butyl]-2-methylpropane-2-sulfinamide
SMILESCCC[C@@H](NS(=O)C(C)(C)C)c1cccc(Br)n1
InChIInChI=1S/C13H21BrN2OS/c1-5-7-11(16-18(17)13(2,3)4)10-8-6-9-12(14)15-10/h6,8-9,11,16H,5,7H2,1-4H3/t11-,18?/m1/s1
InChIKeyBUBQYKKIFHJFQB-SSJGJQFISA-N
XLogP3.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(6-bromo-2-pyridinyl)pent-3-ynyl]-2-methylpropane-2-sulfinamide
CID 130227344
(S)-N-[(1S)-1-(6-bromo-2-pyridinyl)-4-(trimethyl-λ4-sulfanyl)but-3-ynyl]-2-methylpropane-2-sulfinamide
CID 153422284
N-[(1S)-1-(6-bromo-2-pyridinyl)-2-fluoropropyl]-2-methylpropane-2-sulfinamide
CID 130227349
(S)-N-[1-(6-bromo-3-pyridinyl)butyl]-2-methylpropane-2-sulfinamide
CID 90939981
N-[1-(2-bromopyrimidin-4-yl)propyl]-2-methylpropane-2-sulfinamide
CID 139519265
1-(6-bromo-2-pyridinyl)pentan-1-ol
CID 58629907
N-[3-amino-1-(5-bromo-2-pyridinyl)propyl]-2-methylpropane-2-sulfinamide
CID 118391797
N-[(1S)-1-(3-bromo-1,2-oxazol-5-yl)propyl]-2-methylpropane-2-sulfinamide
CID 66727467
(R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide
CID 135005703
(R)-2-methyl-N-[(1S)-1-[6-[1-[6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butyl]propane-2-sulfinamide
CID 118664173
2-methyl-N-[(1S)-1-[6-[1-[6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-2-pyridinyl]indazol-6-yl]-2-pyridinyl]butyl]propane-2-sulfinamide
CID 118664171
N-[1-(6-bromoquinolin-2-yl)-3-methylbutyl]-2-methylpropane-2-sulfinamide
CID 118279654

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(6-bromo-2-pyridinyl)butyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1R)-1-(6-bromo-2-pyridinyl)butyl]-2-methylpropane-2-sulfinamide (CID 118663891) is N-[(1R)-1-(6-bromo-2-pyridinyl)butyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1R)-1-(6-bromo-2-pyridinyl)butyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1R)-1-(6-bromo-2-pyridinyl)butyl]-2-methylpropane-2-sulfinamide is CCC[C@@H](NS(=O)C(C)(C)C)c1cccc(Br)n1.
What is the InChIKey of N-[(1R)-1-(6-bromo-2-pyridinyl)butyl]-2-methylpropane-2-sulfinamide?
The InChIKey is BUBQYKKIFHJFQB-SSJGJQFISA-N. The full InChI is InChI=1S/C13H21BrN2OS/c1-5-7-11(16-18(17)13(2,3)4)10-8-6-9-12(14)15-10/h6,8-9,11,16H,5,7H2,1-4H3/t11-,18?/m1/s1.
What are the key properties of N-[(1R)-1-(6-bromo-2-pyridinyl)butyl]-2-methylpropane-2-sulfinamide?
N-[(1R)-1-(6-bromo-2-pyridinyl)butyl]-2-methylpropane-2-sulfinamide has a molecular weight of 333.30 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(6-bromo-2-pyridinyl)butyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 118663891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).