N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropane-1-sulfonamide

C10H23NO3S2 — CID 106245535

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropane-1-sulfonamide
SMILESCSCC(C)(O)CNS(=O)(=O)CC(C)(C)C
InChIInChI=1S/C10H23NO3S2/c1-9(2,3)8-16(13,14)11-6-10(4,12)7-15-5/h11-12H,6-8H2,1-5H3
InChIKeyFXCLQXWFGQYTGW-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.07
Rot. Bonds6

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropane-1-sulfonamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropane-1-sulfonamide (PubChem CID 106245535) has the molecular formula C10H23NO3S2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropane-1-sulfonamide
PubChem CID106245535
Molecular FormulaC10H23NO3S2
Molecular Weight269.43 g/mol
Exact Mass269.11
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropane-1-sulfonamide
SMILESCSCC(C)(O)CNS(=O)(=O)CC(C)(C)C
InChIInChI=1S/C10H23NO3S2/c1-9(2,3)8-16(13,14)11-6-10(4,12)7-15-5/h11-12H,6-8H2,1-5H3
InChIKeyFXCLQXWFGQYTGW-UHFFFAOYSA-N
XLogP1.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)methanesulfonamide
CID 106248521
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)butane-1-sulfonamide
CID 90523075
3-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl]propanoic acid
CID 106244687
2-hydroxy-2-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]-3-methylsulfanylpropane
CID 103835642
1-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]methanesulfonamide
CID 95984165
1-cyano-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)ethanesulfonamide
CID 106245470
methyl 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl]propanoate
CID 114163451
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methylbenzenesulfonamide
CID 103835619
1-(3-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]methanesulfonamide
CID 95984177
3-fluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-methylbenzenesulfonamide
CID 122150626
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)morpholine-4-sulfonamide
CID 103835686
2,6-dichloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 103835588

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropane-1-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropane-1-sulfonamide (CID 106245535) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropane-1-sulfonamide is CSCC(C)(O)CNS(=O)(=O)CC(C)(C)C.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropane-1-sulfonamide?
The InChIKey is FXCLQXWFGQYTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S2/c1-9(2,3)8-16(13,14)11-6-10(4,12)7-15-5/h11-12H,6-8H2,1-5H3.
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropane-1-sulfonamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropane-1-sulfonamide has a molecular weight of 269.43 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 106245535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).