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

C14H23BrN2O2S — CID 118670653

IUPAC(R)-N-[(1R)-1-(6-bromo-2-pyridinyl)-2-methoxybutyl]-2-methylpropane-2-sulfinamide
SMILESCCC(OC)[C@H](N[S@](=O)C(C)(C)C)c1cccc(Br)n1
InChIInChI=1S/C14H23BrN2O2S/c1-6-11(19-5)13(17-20(18)14(2,3)4)10-8-7-9-12(15)16-10/h7-9,11,13,17H,6H2,1-5H3/t11?,13-,20-/m1/s1
InChIKeyHCIHLAKSJVRHBY-LKPMLWNNSA-N
MW363.32 g/mol
LogP3.36
Rot. Bonds6

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

(R)-N-[(1R)-1-(6-bromo-2-pyridinyl)-2-methoxybutyl]-2-methylpropane-2-sulfinamide (PubChem CID 118670653) has the molecular formula C14H23BrN2O2S and a molecular weight of 363.32 g/mol. Its IUPAC name is (R)-N-[(1R)-1-(6-bromo-2-pyridinyl)-2-methoxybutyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-1-(6-bromo-2-pyridinyl)-2-methoxybutyl]-2-methylpropane-2-sulfinamide
PubChem CID118670653
Molecular FormulaC14H23BrN2O2S
Molecular Weight363.32 g/mol
Exact Mass362.07
IUPAC Name(R)-N-[(1R)-1-(6-bromo-2-pyridinyl)-2-methoxybutyl]-2-methylpropane-2-sulfinamide
SMILESCCC(OC)[C@H](N[S@](=O)C(C)(C)C)c1cccc(Br)n1
InChIInChI=1S/C14H23BrN2O2S/c1-6-11(19-5)13(17-20(18)14(2,3)4)10-8-7-9-12(15)16-10/h7-9,11,13,17H,6H2,1-5H3/t11?,13-,20-/m1/s1
InChIKeyHCIHLAKSJVRHBY-LKPMLWNNSA-N
XLogP3.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-1-(6-bromo-2-pyridinyl)-2-methoxybutyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-1-(6-bromo-2-pyridinyl)-2-methoxybutyl]-2-methylpropane-2-sulfinamide (CID 118670653) is (R)-N-[(1R)-1-(6-bromo-2-pyridinyl)-2-methoxybutyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-1-(6-bromo-2-pyridinyl)-2-methoxybutyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-1-(6-bromo-2-pyridinyl)-2-methoxybutyl]-2-methylpropane-2-sulfinamide is CCC(OC)[C@H](N[S@](=O)C(C)(C)C)c1cccc(Br)n1.
What is the InChIKey of (R)-N-[(1R)-1-(6-bromo-2-pyridinyl)-2-methoxybutyl]-2-methylpropane-2-sulfinamide?
The InChIKey is HCIHLAKSJVRHBY-LKPMLWNNSA-N. The full InChI is InChI=1S/C14H23BrN2O2S/c1-6-11(19-5)13(17-20(18)14(2,3)4)10-8-7-9-12(15)16-10/h7-9,11,13,17H,6H2,1-5H3/t11?,13-,20-/m1/s1.
What are the key properties of (R)-N-[(1R)-1-(6-bromo-2-pyridinyl)-2-methoxybutyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-1-(6-bromo-2-pyridinyl)-2-methoxybutyl]-2-methylpropane-2-sulfinamide has a molecular weight of 363.32 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-1-(6-bromo-2-pyridinyl)-2-methoxybutyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 118670653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).