N-[(2R)-1-hydroxy-3-methylsulfanylpropan-2-yl]-2-methylpropane-2-sulfonamide

C8H19NO3S2 — CID 170080780

IUPACN-[(2R)-1-hydroxy-3-methylsulfanylpropan-2-yl]-2-methylpropane-2-sulfonamide
SMILESCSC[C@@H](CO)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C8H19NO3S2/c1-8(2,3)14(11,12)9-7(5-10)6-13-4/h7,9-10H,5-6H2,1-4H3/t7-/m1/s1
InChIKeyCQASIIZBHVLHAW-SSDOTTSWSA-N
MW241.38 g/mol
LogP0.43
Rot. Bonds5

About N-[(2R)-1-hydroxy-3-methylsulfanylpropan-2-yl]-2-methylpropane-2-sulfonamide

N-[(2R)-1-hydroxy-3-methylsulfanylpropan-2-yl]-2-methylpropane-2-sulfonamide (PubChem CID 170080780) has the molecular formula C8H19NO3S2 and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-methylsulfanylpropan-2-yl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-methylsulfanylpropan-2-yl]-2-methylpropane-2-sulfonamide
PubChem CID170080780
Molecular FormulaC8H19NO3S2
Molecular Weight241.38 g/mol
Exact Mass241.08
IUPAC NameN-[(2R)-1-hydroxy-3-methylsulfanylpropan-2-yl]-2-methylpropane-2-sulfonamide
SMILESCSC[C@@H](CO)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C8H19NO3S2/c1-8(2,3)14(11,12)9-7(5-10)6-13-4/h7,9-10H,5-6H2,1-4H3/t7-/m1/s1
InChIKeyCQASIIZBHVLHAW-SSDOTTSWSA-N
XLogP0.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-3-methylsulfanylpropan-2-yl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-methylsulfanylpropan-2-yl]-2-methylpropane-2-sulfonamide (CID 170080780) is N-[(2R)-1-hydroxy-3-methylsulfanylpropan-2-yl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-methylsulfanylpropan-2-yl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-methylsulfanylpropan-2-yl]-2-methylpropane-2-sulfonamide is CSC[C@@H](CO)NS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-[(2R)-1-hydroxy-3-methylsulfanylpropan-2-yl]-2-methylpropane-2-sulfonamide?
The InChIKey is CQASIIZBHVLHAW-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H19NO3S2/c1-8(2,3)14(11,12)9-7(5-10)6-13-4/h7,9-10H,5-6H2,1-4H3/t7-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-methylsulfanylpropan-2-yl]-2-methylpropane-2-sulfonamide?
N-[(2R)-1-hydroxy-3-methylsulfanylpropan-2-yl]-2-methylpropane-2-sulfonamide has a molecular weight of 241.38 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-3-methylsulfanylpropan-2-yl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 170080780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).