1-hydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)propane-2-sulfonamide

C9H21NO3S2 — CID 112666974

IUPAC1-hydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)propane-2-sulfonamide
SMILESCCC(CSC)N(C)S(=O)(=O)C(C)CO
InChIInChI=1S/C9H21NO3S2/c1-5-9(7-14-4)10(3)15(12,13)8(2)6-11/h8-9,11H,5-7H2,1-4H3
InChIKeyLFRDBBZZIIZSAI-UHFFFAOYSA-N
MW255.40 g/mol
LogP0.77
Rot. Bonds7

About 1-hydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)propane-2-sulfonamide

1-hydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)propane-2-sulfonamide (PubChem CID 112666974) has the molecular formula C9H21NO3S2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-hydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-hydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)propane-2-sulfonamide
PubChem CID112666974
Molecular FormulaC9H21NO3S2
Molecular Weight255.40 g/mol
Exact Mass255.10
IUPAC Name1-hydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)propane-2-sulfonamide
SMILESCCC(CSC)N(C)S(=O)(=O)C(C)CO
InChIInChI=1S/C9H21NO3S2/c1-5-9(7-14-4)10(3)15(12,13)8(2)6-11/h8-9,11H,5-7H2,1-4H3
InChIKeyLFRDBBZZIIZSAI-UHFFFAOYSA-N
XLogP0.77
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)propane-1-sulfonamide
CID 112663369
5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-2-sulfonamide
CID 112666962
4-(1-aminoethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 115986116
N-[(2R)-1-hydroxybutan-2-yl]-N-methylmethanesulfonamide
CID 146435596
2-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-oxoacetic acid
CID 112663253
5-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)thiophene-3-sulfonamide
CID 112666972
1-[3-(hydroxymethyl)phenyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)methanesulfonamide
CID 115988136
3-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide
CID 112659204
2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid
CID 112551537
(2S)-3-hydroxy-2-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 103955226
1-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 115985522
5-(hydroxymethyl)-2-methoxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 115988140

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)propane-2-sulfonamide?
The IUPAC name of 1-hydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)propane-2-sulfonamide (CID 112666974) is 1-hydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)propane-2-sulfonamide.
What is the SMILES notation for 1-hydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)propane-2-sulfonamide?
The canonical SMILES for 1-hydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)propane-2-sulfonamide is CCC(CSC)N(C)S(=O)(=O)C(C)CO.
What is the InChIKey of 1-hydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)propane-2-sulfonamide?
The InChIKey is LFRDBBZZIIZSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S2/c1-5-9(7-14-4)10(3)15(12,13)8(2)6-11/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 1-hydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)propane-2-sulfonamide?
1-hydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)propane-2-sulfonamide has a molecular weight of 255.40 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)propane-2-sulfonamide is sourced from PubChem (CID 112666974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).