N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropane-1-sulfonamide

C7H17NO3S — CID 79027401

IUPACN-[(2R)-1-hydroxypropan-2-yl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)N[C@H](C)CO
InChIInChI=1S/C7H17NO3S/c1-6(2)5-12(10,11)8-7(3)4-9/h6-9H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyXEZWDSFFQXJYAY-SSDOTTSWSA-N
MW195.28 g/mol
LogP-0.06
Rot. Bonds5

About N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropane-1-sulfonamide

N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropane-1-sulfonamide (PubChem CID 79027401) has the molecular formula C7H17NO3S and a molecular weight of 195.28 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]-2-methylpropane-1-sulfonamide
PubChem CID79027401
Molecular FormulaC7H17NO3S
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)N[C@H](C)CO
InChIInChI=1S/C7H17NO3S/c1-6(2)5-12(10,11)8-7(3)4-9/h6-9H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyXEZWDSFFQXJYAY-SSDOTTSWSA-N
XLogP-0.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropane-1-sulfonamide
CID 79255900
N-[(2R)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide
CID 103918485
N-[(2S)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide
CID 104981900
N-(1-hydroxypropan-2-yl)propane-2-sulfonamide
CID 58551854
(2R)-2-(2-methylpropylsulfonylamino)propanoic acid
CID 78995773
N-[(2R)-1-hydroxypropan-2-yl]-2-methoxyethanesulfonamide
CID 64722345
N-(1-cyanopropan-2-yl)-2-methylpropane-1-sulfonamide
CID 62733698
N-(1-hydroxypropan-2-yl)butane-1-sulfonamide
CID 43502189
1-cyclopropyl-N-(1-hydroxypropan-2-yl)methanesulfonamide
CID 64987940
N-[(2R)-1-hydroxypropan-2-yl]-2-trimethylsilylethanesulfonamide
CID 117063206
2-methyl-6-(2-methylpropylsulfonylamino)heptanoic acid
CID 65285332
1-cyclohexyl-N-[(2R)-1-hydroxypropan-2-yl]methanesulfonamide
CID 64722343

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropane-1-sulfonamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropane-1-sulfonamide (CID 79027401) is N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)N[C@H](C)CO.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropane-1-sulfonamide?
The InChIKey is XEZWDSFFQXJYAY-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H17NO3S/c1-6(2)5-12(10,11)8-7(3)4-9/h6-9H,4-5H2,1-3H3/t7-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropane-1-sulfonamide?
N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropane-1-sulfonamide has a molecular weight of 195.28 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 79027401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).