(R)-4-methyl-N-[(2R)-1,1,1-triethoxy-2-methylbutan-2-yl]benzenesulfinamide

C18H31NO4S — CID 134918616

IUPAC(R)-4-methyl-N-[(2R)-1,1,1-triethoxy-2-methylbutan-2-yl]benzenesulfinamide
SMILESCCOC(OCC)(OCC)[C@@](C)(CC)N[S@](=O)c1ccc(C)cc1
InChIInChI=1S/C18H31NO4S/c1-7-17(6,18(21-8-2,22-9-3)23-10-4)19-24(20)16-13-11-15(5)12-14-16/h11-14,19H,7-10H2,1-6H3/t17-,24-/m1/s1
InChIKeyAKNCRPIAENHVNR-MZNJEOGPSA-N
MW357.52 g/mol
LogP3.54
Rot. Bonds11

About (R)-4-methyl-N-[(2R)-1,1,1-triethoxy-2-methylbutan-2-yl]benzenesulfinamide

(R)-4-methyl-N-[(2R)-1,1,1-triethoxy-2-methylbutan-2-yl]benzenesulfinamide (PubChem CID 134918616) has the molecular formula C18H31NO4S and a molecular weight of 357.52 g/mol. Its IUPAC name is (R)-4-methyl-N-[(2R)-1,1,1-triethoxy-2-methylbutan-2-yl]benzenesulfinamide.

Molecular Properties

Compound Name(R)-4-methyl-N-[(2R)-1,1,1-triethoxy-2-methylbutan-2-yl]benzenesulfinamide
PubChem CID134918616
Molecular FormulaC18H31NO4S
Molecular Weight357.52 g/mol
Exact Mass357.20
IUPAC Name(R)-4-methyl-N-[(2R)-1,1,1-triethoxy-2-methylbutan-2-yl]benzenesulfinamide
SMILESCCOC(OCC)(OCC)[C@@](C)(CC)N[S@](=O)c1ccc(C)cc1
InChIInChI=1S/C18H31NO4S/c1-7-17(6,18(21-8-2,22-9-3)23-10-4)19-24(20)16-13-11-15(5)12-14-16/h11-14,19H,7-10H2,1-6H3/t17-,24-/m1/s1
InChIKeyAKNCRPIAENHVNR-MZNJEOGPSA-N
XLogP3.54
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (R)-4-methyl-N-[(2R)-1,1,1-triethoxy-2-methylbutan-2-yl]benzenesulfinamide 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

(S)-N-[(3R,4E)-4-ethoxy-2,2-dimethylhepta-4,6-dien-3-yl]-4-methylbenzenesulfinamide
CID 51353829
1-(2,2-dimethylpropylsulfinyl)-4-methylbenzene
CID 86203544
(S)-N-[(1R,2R)-2-chloro-2-diethoxyphosphoryl-1-phenylpropyl]-4-methylbenzenesulfinamide
CID 11732961
1-[(1R)-1-deuterio-2,2-dimethylpropyl]sulfinyl-4-methylbenzene
CID 101168371
N,N-diethyl-4-methylbenzenesulfinamide
CID 10798558
(R)-4-methyl-N-[(2S,3S)-3-[(R)-(4-methylphenyl)sulfinyl]-2-phenylbutan-2-yl]benzenesulfinamide
CID 11247321
ethyl (3S)-2,2-difluoro-4-methyl-3-[[(S)-(4-methylphenyl)sulfinyl]amino]pentanoate
CID 11088911
(S)-4-methyl-N-[(1R,2R)-1-methylsulfanyl-1,2-diphenylpropan-2-yl]benzenesulfinamide
CID 25193676
2-methoxy-N-(4-methylphenyl)sulfinylacetamide
CID 86036730
methyl (2S)-2-benzyl-3,3,3-trifluoro-2-[[(S)-(4-methylphenyl)sulfinyl]amino]propanoate
CID 10916012
[(4-methylphenyl)sulfinylamino]phosphonous acid
CID 167063351
ethyl (2R)-2-(tert-butylsulfinylamino)-2-(4-methylphenyl)acetate
CID 102471388

Frequently Asked Questions

What is the IUPAC name of (R)-4-methyl-N-[(2R)-1,1,1-triethoxy-2-methylbutan-2-yl]benzenesulfinamide?
The IUPAC name of (R)-4-methyl-N-[(2R)-1,1,1-triethoxy-2-methylbutan-2-yl]benzenesulfinamide (CID 134918616) is (R)-4-methyl-N-[(2R)-1,1,1-triethoxy-2-methylbutan-2-yl]benzenesulfinamide.
What is the SMILES notation for (R)-4-methyl-N-[(2R)-1,1,1-triethoxy-2-methylbutan-2-yl]benzenesulfinamide?
The canonical SMILES for (R)-4-methyl-N-[(2R)-1,1,1-triethoxy-2-methylbutan-2-yl]benzenesulfinamide is CCOC(OCC)(OCC)[C@@](C)(CC)N[S@](=O)c1ccc(C)cc1.
What is the InChIKey of (R)-4-methyl-N-[(2R)-1,1,1-triethoxy-2-methylbutan-2-yl]benzenesulfinamide?
The InChIKey is AKNCRPIAENHVNR-MZNJEOGPSA-N. The full InChI is InChI=1S/C18H31NO4S/c1-7-17(6,18(21-8-2,22-9-3)23-10-4)19-24(20)16-13-11-15(5)12-14-16/h11-14,19H,7-10H2,1-6H3/t17-,24-/m1/s1.
What are the key properties of (R)-4-methyl-N-[(2R)-1,1,1-triethoxy-2-methylbutan-2-yl]benzenesulfinamide?
(R)-4-methyl-N-[(2R)-1,1,1-triethoxy-2-methylbutan-2-yl]benzenesulfinamide has a molecular weight of 357.52 g/mol, XLogP of 3.54, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-4-methyl-N-[(2R)-1,1,1-triethoxy-2-methylbutan-2-yl]benzenesulfinamide is sourced from PubChem (CID 134918616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).