(R)-N-[(1S)-1-[4-bromo-2-(methoxymethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide

C14H22BrNO3S — CID 170329482

IUPAC(R)-N-[(1S)-1-[4-bromo-2-(methoxymethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCOCOc1cc(Br)ccc1[C@H](C)N[S@](=O)C(C)(C)C
InChIInChI=1S/C14H22BrNO3S/c1-10(16-20(17)14(2,3)4)12-7-6-11(15)8-13(12)19-9-18-5/h6-8,10,16H,9H2,1-5H3/t10-,20+/m0/s1
InChIKeyGNAMRKOQUSTOOC-WVDJIFEKSA-N
MW364.31 g/mol
LogP3.54
Rot. Bonds6

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

(R)-N-[(1S)-1-[4-bromo-2-(methoxymethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 170329482) has the molecular formula C14H22BrNO3S and a molecular weight of 364.31 g/mol. Its IUPAC name is (R)-N-[(1S)-1-[4-bromo-2-(methoxymethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S)-1-[4-bromo-2-(methoxymethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID170329482
Molecular FormulaC14H22BrNO3S
Molecular Weight364.31 g/mol
Exact Mass363.05
IUPAC Name(R)-N-[(1S)-1-[4-bromo-2-(methoxymethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCOCOc1cc(Br)ccc1[C@H](C)N[S@](=O)C(C)(C)C
InChIInChI=1S/C14H22BrNO3S/c1-10(16-20(17)14(2,3)4)12-7-6-11(15)8-13(12)19-9-18-5/h6-8,10,16H,9H2,1-5H3/t10-,20+/m0/s1
InChIKeyGNAMRKOQUSTOOC-WVDJIFEKSA-N
XLogP3.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(4-bromo-2-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 139530916
N-[(1R)-1-(5-bromo-2-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 126531678
N-[(1S)-1-(6-bromo-2-methoxy-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 146236543
(S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 86732639
(S)-N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 118582712
(R)-N-[(1S)-1-(4-bromo-3-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 176890367
1-[5-bromo-2-[1-(methylamino)ethyl]phenoxy]-3-methoxypropan-2-ol
CID 102947332
(NE,R)-N-[1-[4-bromo-2-(methoxymethoxy)phenyl]ethylidene]-2-methylpropane-2-sulfinamide
CID 170329219
1-[4-bromo-2-(2-methoxyethoxy)phenyl]-N-ethylethanamine
CID 82976363
N-[(1R)-1-(4-bromo-2-chloro-3,5-diethoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 163283846
1-[5-bromo-2-(methoxymethoxy)phenyl]ethanamine
CID 65365311
(1S)-1-[5-bromo-2-(methoxymethoxy)phenyl]ethanol
CID 79005339

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S)-1-[4-bromo-2-(methoxymethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S)-1-[4-bromo-2-(methoxymethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide (CID 170329482) is (R)-N-[(1S)-1-[4-bromo-2-(methoxymethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S)-1-[4-bromo-2-(methoxymethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S)-1-[4-bromo-2-(methoxymethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide is COCOc1cc(Br)ccc1[C@H](C)N[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-N-[(1S)-1-[4-bromo-2-(methoxymethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is GNAMRKOQUSTOOC-WVDJIFEKSA-N. The full InChI is InChI=1S/C14H22BrNO3S/c1-10(16-20(17)14(2,3)4)12-7-6-11(15)8-13(12)19-9-18-5/h6-8,10,16H,9H2,1-5H3/t10-,20+/m0/s1.
What are the key properties of (R)-N-[(1S)-1-[4-bromo-2-(methoxymethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1S)-1-[4-bromo-2-(methoxymethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 364.31 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S)-1-[4-bromo-2-(methoxymethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 170329482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).