(R)-N-[(1R)-1-(2-aminophenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide

C13H22N2OS — CID 53243365

IUPAC(R)-N-[(1R)-1-(2-aminophenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide
SMILESC[C@H](c1ccccc1N)N(C)[S@](=O)C(C)(C)C
InChIInChI=1S/C13H22N2OS/c1-10(11-8-6-7-9-12(11)14)15(5)17(16)13(2,3)4/h6-10H,14H2,1-5H3/t10-,17-/m1/s1
InChIKeyMKOGRHNJWNABNX-BMLIUANNSA-N
MW254.40 g/mol
LogP2.72
Rot. Bonds3

About (R)-N-[(1R)-1-(2-aminophenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide

(R)-N-[(1R)-1-(2-aminophenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide (PubChem CID 53243365) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is (R)-N-[(1R)-1-(2-aminophenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-1-(2-aminophenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide
PubChem CID53243365
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name(R)-N-[(1R)-1-(2-aminophenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide
SMILESC[C@H](c1ccccc1N)N(C)[S@](=O)C(C)(C)C
InChIInChI=1S/C13H22N2OS/c1-10(11-8-6-7-9-12(11)14)15(5)17(16)13(2,3)4/h6-10H,14H2,1-5H3/t10-,17-/m1/s1
InChIKeyMKOGRHNJWNABNX-BMLIUANNSA-N
XLogP2.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide
CID 162393817
N-[(2-amino-5-bromophenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide
CID 123300953
(S)-N-[(2-amino-5-bromophenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide
CID 163692464
(3R)-3-[[(R)-tert-butylsulfinyl]-methylamino]-3-(2-chlorophenyl)-2,2-difluoropropanoic acid
CID 50999279
(1S)-1-(2-aminophenyl)ethanol
CID 12749796
3-[(1R)-1-(2-aminophenyl)ethyl]-1,1-dimethylurea
CID 40601139
(R)-N-[(S)-(2-ditert-butylphosphanylphenyl)-naphthalen-1-ylmethyl]-N,2-dimethylpropane-2-sulfinamide
CID 164887404
(S)-N-[(1S)-2-diphenylphosphanyl-1-(2-diphenylphosphanylphenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide
CID 163355351
4-(2-aminophenyl)-2-methylpentan-2-ol
CID 155775432
2-(1-aminoethyl)aniline;sulfuric acid
CID 67830169
N-[(R)-(3,5-dimethylphenyl)-(2-diphenylphosphanylphenyl)methyl]-N,2-dimethylpropane-2-sulfinamide
CID 162393839
3-(2-aminophenyl)-2,2-difluorobutanal
CID 173286088

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-1-(2-aminophenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-1-(2-aminophenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide (CID 53243365) is (R)-N-[(1R)-1-(2-aminophenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-1-(2-aminophenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-1-(2-aminophenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide is C[C@H](c1ccccc1N)N(C)[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-N-[(1R)-1-(2-aminophenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide?
The InChIKey is MKOGRHNJWNABNX-BMLIUANNSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-10(11-8-6-7-9-12(11)14)15(5)17(16)13(2,3)4/h6-10H,14H2,1-5H3/t10-,17-/m1/s1.
What are the key properties of (R)-N-[(1R)-1-(2-aminophenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide?
(R)-N-[(1R)-1-(2-aminophenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide has a molecular weight of 254.40 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-1-(2-aminophenyl)ethyl]-N,2-dimethylpropane-2-sulfinamide is sourced from PubChem (CID 53243365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).