N-[(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]ethanesulfonamide

C6H15NO3S2 — CID 146435836

IUPACN-[(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H](CO)CSC
InChIInChI=1S/C6H15NO3S2/c1-3-12(9,10)7-6(4-8)5-11-2/h6-8H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyBVXWEBFMIWRRHP-LURJTMIESA-N
MW213.32 g/mol
LogP-0.35
Rot. Bonds6

About N-[(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]ethanesulfonamide

N-[(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]ethanesulfonamide (PubChem CID 146435836) has the molecular formula C6H15NO3S2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]ethanesulfonamide
PubChem CID146435836
Molecular FormulaC6H15NO3S2
Molecular Weight213.32 g/mol
Exact Mass213.05
IUPAC NameN-[(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@@H](CO)CSC
InChIInChI=1S/C6H15NO3S2/c1-3-12(9,10)7-6(4-8)5-11-2/h6-8H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyBVXWEBFMIWRRHP-LURJTMIESA-N
XLogP-0.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]ethanesulfonamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]ethanesulfonamide (CID 146435836) is N-[(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]ethanesulfonamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]ethanesulfonamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]ethanesulfonamide is CCS(=O)(=O)N[C@@H](CO)CSC.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]ethanesulfonamide?
The InChIKey is BVXWEBFMIWRRHP-LURJTMIESA-N. The full InChI is InChI=1S/C6H15NO3S2/c1-3-12(9,10)7-6(4-8)5-11-2/h6-8H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]ethanesulfonamide?
N-[(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]ethanesulfonamide has a molecular weight of 213.32 g/mol, XLogP of -0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]ethanesulfonamide is sourced from PubChem (CID 146435836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).