N-ethyl-N-(5-hydroxy-4-methylpentyl)methanesulfonamide

C9H21NO3S — CID 88991768

IUPACN-ethyl-N-(5-hydroxy-4-methylpentyl)methanesulfonamide
SMILESCCN(CCCC(C)CO)S(C)(=O)=O
InChIInChI=1S/C9H21NO3S/c1-4-10(14(3,12)13)7-5-6-9(2)8-11/h9,11H,4-8H2,1-3H3
InChIKeyXJYUIEIWBTYVKA-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.68
Rot. Bonds7

About N-ethyl-N-(5-hydroxy-4-methylpentyl)methanesulfonamide

N-ethyl-N-(5-hydroxy-4-methylpentyl)methanesulfonamide (PubChem CID 88991768) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-ethyl-N-(5-hydroxy-4-methylpentyl)methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(5-hydroxy-4-methylpentyl)methanesulfonamide
PubChem CID88991768
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC NameN-ethyl-N-(5-hydroxy-4-methylpentyl)methanesulfonamide
SMILESCCN(CCCC(C)CO)S(C)(=O)=O
InChIInChI=1S/C9H21NO3S/c1-4-10(14(3,12)13)7-5-6-9(2)8-11/h9,11H,4-8H2,1-3H3
InChIKeyXJYUIEIWBTYVKA-UHFFFAOYSA-N
XLogP0.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(5-hydroxy-4-methylpentyl)methanesulfonamide?
The IUPAC name of N-ethyl-N-(5-hydroxy-4-methylpentyl)methanesulfonamide (CID 88991768) is N-ethyl-N-(5-hydroxy-4-methylpentyl)methanesulfonamide.
What is the SMILES notation for N-ethyl-N-(5-hydroxy-4-methylpentyl)methanesulfonamide?
The canonical SMILES for N-ethyl-N-(5-hydroxy-4-methylpentyl)methanesulfonamide is CCN(CCCC(C)CO)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-(5-hydroxy-4-methylpentyl)methanesulfonamide?
The InChIKey is XJYUIEIWBTYVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-4-10(14(3,12)13)7-5-6-9(2)8-11/h9,11H,4-8H2,1-3H3.
What are the key properties of N-ethyl-N-(5-hydroxy-4-methylpentyl)methanesulfonamide?
N-ethyl-N-(5-hydroxy-4-methylpentyl)methanesulfonamide has a molecular weight of 223.34 g/mol, XLogP of 0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(5-hydroxy-4-methylpentyl)methanesulfonamide is sourced from PubChem (CID 88991768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).