N-[(2S,3S)-2-hydroxy-5-methylhexan-3-yl]-N-methylmethanesulfonamide

C9H21NO3S — CID 174044309

IUPACN-[(2S,3S)-2-hydroxy-5-methylhexan-3-yl]-N-methylmethanesulfonamide
SMILESCC(C)C[C@@H]([C@H](C)O)N(C)S(C)(=O)=O
InChIInChI=1S/C9H21NO3S/c1-7(2)6-9(8(3)11)10(4)14(5,12)13/h7-9,11H,6H2,1-5H3/t8-,9-/m0/s1
InChIKeyVGZRCEFHWFKTOA-IUCAKERBSA-N
MW223.34 g/mol
LogP0.67
Rot. Bonds5

About N-[(2S,3S)-2-hydroxy-5-methylhexan-3-yl]-N-methylmethanesulfonamide

N-[(2S,3S)-2-hydroxy-5-methylhexan-3-yl]-N-methylmethanesulfonamide (PubChem CID 174044309) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-[(2S,3S)-2-hydroxy-5-methylhexan-3-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-hydroxy-5-methylhexan-3-yl]-N-methylmethanesulfonamide
PubChem CID174044309
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC NameN-[(2S,3S)-2-hydroxy-5-methylhexan-3-yl]-N-methylmethanesulfonamide
SMILESCC(C)C[C@@H]([C@H](C)O)N(C)S(C)(=O)=O
InChIInChI=1S/C9H21NO3S/c1-7(2)6-9(8(3)11)10(4)14(5,12)13/h7-9,11H,6H2,1-5H3/t8-,9-/m0/s1
InChIKeyVGZRCEFHWFKTOA-IUCAKERBSA-N
XLogP0.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-hydroxy-5-methylhexan-3-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[(2S,3S)-2-hydroxy-5-methylhexan-3-yl]-N-methylmethanesulfonamide (CID 174044309) is N-[(2S,3S)-2-hydroxy-5-methylhexan-3-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(2S,3S)-2-hydroxy-5-methylhexan-3-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[(2S,3S)-2-hydroxy-5-methylhexan-3-yl]-N-methylmethanesulfonamide is CC(C)C[C@@H]([C@H](C)O)N(C)S(C)(=O)=O.
What is the InChIKey of N-[(2S,3S)-2-hydroxy-5-methylhexan-3-yl]-N-methylmethanesulfonamide?
The InChIKey is VGZRCEFHWFKTOA-IUCAKERBSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-7(2)6-9(8(3)11)10(4)14(5,12)13/h7-9,11H,6H2,1-5H3/t8-,9-/m0/s1.
What are the key properties of N-[(2S,3S)-2-hydroxy-5-methylhexan-3-yl]-N-methylmethanesulfonamide?
N-[(2S,3S)-2-hydroxy-5-methylhexan-3-yl]-N-methylmethanesulfonamide has a molecular weight of 223.34 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-hydroxy-5-methylhexan-3-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 174044309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).