N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-methylmethanesulfonamide

C8H19NO3S — CID 146435601

IUPACN-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-methylmethanesulfonamide
SMILESCC(C)C[C@@H](CO)N(C)S(C)(=O)=O
InChIInChI=1S/C8H19NO3S/c1-7(2)5-8(6-10)9(3)13(4,11)12/h7-8,10H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyFLXKABOYIYQLGL-QMMMGPOBSA-N
MW209.31 g/mol
LogP0.28
Rot. Bonds5

About N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-methylmethanesulfonamide

N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-methylmethanesulfonamide (PubChem CID 146435601) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-methylmethanesulfonamide
PubChem CID146435601
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC NameN-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-methylmethanesulfonamide
SMILESCC(C)C[C@@H](CO)N(C)S(C)(=O)=O
InChIInChI=1S/C8H19NO3S/c1-7(2)5-8(6-10)9(3)13(4,11)12/h7-8,10H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyFLXKABOYIYQLGL-QMMMGPOBSA-N
XLogP0.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-methylmethanesulfonamide (CID 146435601) is N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-methylmethanesulfonamide is CC(C)C[C@@H](CO)N(C)S(C)(=O)=O.
What is the InChIKey of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-methylmethanesulfonamide?
The InChIKey is FLXKABOYIYQLGL-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-7(2)5-8(6-10)9(3)13(4,11)12/h7-8,10H,5-6H2,1-4H3/t8-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-methylmethanesulfonamide?
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-methylmethanesulfonamide has a molecular weight of 209.31 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 146435601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).