N-(2-hydroxy-2,4-dimethylpentyl)-2-methoxyethanesulfonamide

C10H23NO4S — CID 66178986

IUPACN-(2-hydroxy-2,4-dimethylpentyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCC(C)(O)CC(C)C
InChIInChI=1S/C10H23NO4S/c1-9(2)7-10(3,12)8-11-16(13,14)6-5-15-4/h9,11-12H,5-8H2,1-4H3
InChIKeyAAJTVRMHYHAARW-UHFFFAOYSA-N
MW253.36 g/mol
LogP0.35
Rot. Bonds8

About N-(2-hydroxy-2,4-dimethylpentyl)-2-methoxyethanesulfonamide

N-(2-hydroxy-2,4-dimethylpentyl)-2-methoxyethanesulfonamide (PubChem CID 66178986) has the molecular formula C10H23NO4S and a molecular weight of 253.36 g/mol. Its IUPAC name is N-(2-hydroxy-2,4-dimethylpentyl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,4-dimethylpentyl)-2-methoxyethanesulfonamide
PubChem CID66178986
Molecular FormulaC10H23NO4S
Molecular Weight253.36 g/mol
Exact Mass253.13
IUPAC NameN-(2-hydroxy-2,4-dimethylpentyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCC(C)(O)CC(C)C
InChIInChI=1S/C10H23NO4S/c1-9(2)7-10(3,12)8-11-16(13,14)6-5-15-4/h9,11-12H,5-8H2,1-4H3
InChIKeyAAJTVRMHYHAARW-UHFFFAOYSA-N
XLogP0.35
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)-2-methoxyethanesulfonamide?
The IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)-2-methoxyethanesulfonamide (CID 66178986) is N-(2-hydroxy-2,4-dimethylpentyl)-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2,4-dimethylpentyl)-2-methoxyethanesulfonamide?
The canonical SMILES for N-(2-hydroxy-2,4-dimethylpentyl)-2-methoxyethanesulfonamide is COCCS(=O)(=O)NCC(C)(O)CC(C)C.
What is the InChIKey of N-(2-hydroxy-2,4-dimethylpentyl)-2-methoxyethanesulfonamide?
The InChIKey is AAJTVRMHYHAARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO4S/c1-9(2)7-10(3,12)8-11-16(13,14)6-5-15-4/h9,11-12H,5-8H2,1-4H3.
What are the key properties of N-(2-hydroxy-2,4-dimethylpentyl)-2-methoxyethanesulfonamide?
N-(2-hydroxy-2,4-dimethylpentyl)-2-methoxyethanesulfonamide has a molecular weight of 253.36 g/mol, XLogP of 0.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,4-dimethylpentyl)-2-methoxyethanesulfonamide is sourced from PubChem (CID 66178986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).