(2R)-1-[N-(dimethylsulfamoyl)anilino]propan-2-ol

C11H18N2O3S — CID 97317746

IUPAC(2R)-1-[N-(dimethylsulfamoyl)anilino]propan-2-ol
SMILESC[C@@H](O)CN(c1ccccc1)S(=O)(=O)N(C)C
InChIInChI=1S/C11H18N2O3S/c1-10(14)9-13(17(15,16)12(2)3)11-7-5-4-6-8-11/h4-8,10,14H,9H2,1-3H3/t10-/m1/s1
InChIKeySWSQKOQFKSNMGY-SNVBAGLBSA-N
MW258.34 g/mol
LogP0.68
Rot. Bonds5

About (2R)-1-[N-(dimethylsulfamoyl)anilino]propan-2-ol

(2R)-1-[N-(dimethylsulfamoyl)anilino]propan-2-ol (PubChem CID 97317746) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is (2R)-1-[N-(dimethylsulfamoyl)anilino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[N-(dimethylsulfamoyl)anilino]propan-2-ol
PubChem CID97317746
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name(2R)-1-[N-(dimethylsulfamoyl)anilino]propan-2-ol
SMILESC[C@@H](O)CN(c1ccccc1)S(=O)(=O)N(C)C
InChIInChI=1S/C11H18N2O3S/c1-10(14)9-13(17(15,16)12(2)3)11-7-5-4-6-8-11/h4-8,10,14H,9H2,1-3H3/t10-/m1/s1
InChIKeySWSQKOQFKSNMGY-SNVBAGLBSA-N
XLogP0.68
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(dimethylsulfamoyl)anilino]-N-(2-methylpropyl)acetamide
CID 4600961
N-[(2S)-2-hydroxypropyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 94818649
N-[(2R)-2-hydroxypropyl]-4,5-dimethyl-N-phenylthiophene-2-sulfonamide
CID 97108754
2,5-difluoro-N-[(2S)-2-hydroxypropyl]-N-phenylbenzenesulfonamide
CID 94824462
(2R)-1-(N-methylanilino)propan-2-ol
CID 39236034
ethyl 2-[N-(dimethylsulfamoyl)anilino]acetate
CID 3546283
N-(2-hydroxypropyl)-N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 136525184
N-tert-butyl-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 3963871
N-[(4-bromophenyl)methyl]-N-(dimethylsulfamoyl)aniline
CID 2225801
2-[N-(dimethylsulfamoyl)anilino]-1-pyrrolidin-1-ylethanone
CID 1289654
2-[N-(dimethylsulfamoyl)anilino]-N-(3-propan-2-yloxypropyl)acetamide
CID 17200342
N-(4-acetamidophenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 17201170

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[N-(dimethylsulfamoyl)anilino]propan-2-ol?
The IUPAC name of (2R)-1-[N-(dimethylsulfamoyl)anilino]propan-2-ol (CID 97317746) is (2R)-1-[N-(dimethylsulfamoyl)anilino]propan-2-ol.
What is the SMILES notation for (2R)-1-[N-(dimethylsulfamoyl)anilino]propan-2-ol?
The canonical SMILES for (2R)-1-[N-(dimethylsulfamoyl)anilino]propan-2-ol is C[C@@H](O)CN(c1ccccc1)S(=O)(=O)N(C)C.
What is the InChIKey of (2R)-1-[N-(dimethylsulfamoyl)anilino]propan-2-ol?
The InChIKey is SWSQKOQFKSNMGY-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-10(14)9-13(17(15,16)12(2)3)11-7-5-4-6-8-11/h4-8,10,14H,9H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-1-[N-(dimethylsulfamoyl)anilino]propan-2-ol?
(2R)-1-[N-(dimethylsulfamoyl)anilino]propan-2-ol has a molecular weight of 258.34 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[N-(dimethylsulfamoyl)anilino]propan-2-ol is sourced from PubChem (CID 97317746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).