(R)-N-[(1S)-1-(4-bromo-3-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide

C13H20BrNO2S — CID 176890367

IUPAC(R)-N-[(1S)-1-(4-bromo-3-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCOc1cc([C@H](C)N[S@](=O)C(C)(C)C)ccc1Br
InChIInChI=1S/C13H20BrNO2S/c1-9(15-18(16)13(2,3)4)10-6-7-11(14)12(8-10)17-5/h6-9,15H,1-5H3/t9-,18+/m0/s1
InChIKeyXPPGVIODWHIVEE-NIVTXAMTSA-N
MW334.28 g/mol
LogP3.57
Rot. Bonds4

About (R)-N-[(1S)-1-(4-bromo-3-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S)-1-(4-bromo-3-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 176890367) has the molecular formula C13H20BrNO2S and a molecular weight of 334.28 g/mol. Its IUPAC name is (R)-N-[(1S)-1-(4-bromo-3-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S)-1-(4-bromo-3-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID176890367
Molecular FormulaC13H20BrNO2S
Molecular Weight334.28 g/mol
Exact Mass333.04
IUPAC Name(R)-N-[(1S)-1-(4-bromo-3-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCOc1cc([C@H](C)N[S@](=O)C(C)(C)C)ccc1Br
InChIInChI=1S/C13H20BrNO2S/c1-9(15-18(16)13(2,3)4)10-6-7-11(14)12(8-10)17-5/h6-9,15H,1-5H3/t9-,18+/m0/s1
InChIKeyXPPGVIODWHIVEE-NIVTXAMTSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (R)-N-[(1S)-1-(4-bromo-3-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(4-bromo-2-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 139530916
(S)-N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 118582712
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-[(1R)-1-(3,5-diethoxy-4-methylphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 163283842
(R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 118230707
2-(4-bromo-3-methoxyphenyl)propanoic acid
CID 83733451
(R)-2-methyl-N-[1-(3-methylphenyl)ethyl]propane-2-sulfinamide
CID 140937180
1-bromo-4-butan-2-yl-2-methoxybenzene;ethane
CID 166461083
(R)-N-[(1R)-1-(5-bromo-2,3-dihydro-1,4-benzodioxin-8-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 129130084
N-[(1R)-1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 67510508
(R)-N-[(1S)-1-[4-bromo-2-(methoxymethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 170329482

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S)-1-(4-bromo-3-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S)-1-(4-bromo-3-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide (CID 176890367) is (R)-N-[(1S)-1-(4-bromo-3-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S)-1-(4-bromo-3-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S)-1-(4-bromo-3-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide is COc1cc([C@H](C)N[S@](=O)C(C)(C)C)ccc1Br.
What is the InChIKey of (R)-N-[(1S)-1-(4-bromo-3-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is XPPGVIODWHIVEE-NIVTXAMTSA-N. The full InChI is InChI=1S/C13H20BrNO2S/c1-9(15-18(16)13(2,3)4)10-6-7-11(14)12(8-10)17-5/h6-9,15H,1-5H3/t9-,18+/m0/s1.
What are the key properties of (R)-N-[(1S)-1-(4-bromo-3-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1S)-1-(4-bromo-3-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 334.28 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S)-1-(4-bromo-3-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 176890367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).