N-(2-hydroxy-4-methylpentyl)propane-2-sulfonamide

C9H21NO3S — CID 103834354

IUPACN-(2-hydroxy-4-methylpentyl)propane-2-sulfonamide
SMILESCC(C)CC(O)CNS(=O)(=O)C(C)C
InChIInChI=1S/C9H21NO3S/c1-7(2)5-9(11)6-10-14(12,13)8(3)4/h7-11H,5-6H2,1-4H3
InChIKeyFJJPXXFLAZSYTG-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.72
Rot. Bonds6

About N-(2-hydroxy-4-methylpentyl)propane-2-sulfonamide

N-(2-hydroxy-4-methylpentyl)propane-2-sulfonamide (PubChem CID 103834354) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)propane-2-sulfonamide
PubChem CID103834354
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC NameN-(2-hydroxy-4-methylpentyl)propane-2-sulfonamide
SMILESCC(C)CC(O)CNS(=O)(=O)C(C)C
InChIInChI=1S/C9H21NO3S/c1-7(2)5-9(11)6-10-14(12,13)8(3)4/h7-11H,5-6H2,1-4H3
InChIKeyFJJPXXFLAZSYTG-UHFFFAOYSA-N
XLogP0.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-(2-hydroxy-4-methylpentyl)ethanesulfonamide
CID 103834355
methyl 4-[(2-hydroxy-4-methylpentyl)sulfamoyl]benzoate
CID 103834428
4-amino-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 113431244
N-(2-ethylbutyl)propane-2-sulfonamide
CID 115613314
4-methyl-1-(2-methylsulfonylethylamino)pentan-2-ol
CID 107152409
3-methyl-4-(propan-2-ylsulfonylamino)butanoic acid
CID 81066190
N-[2-(dimethylamino)propyl]propane-2-sulfonamide
CID 61357181
4-[(2-hydroxy-4-methylpentyl)sulfamoyl]benzamide
CID 103834407
5-amino-N-(2-hydroxy-4-methylpentyl)-2,3-dimethylbenzenesulfonamide
CID 107150811
methyl 2-iodo-3-(propan-2-ylsulfonylamino)propanoate
CID 103493657
5-bromo-N-(2-hydroxy-4-methylpentyl)-3-methyltriazole-4-sulfonamide
CID 103354596
N-(2-hydroxy-4-methylpentyl)-5-methyl-1,2-oxazole-4-sulfonamide
CID 135224228

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)propane-2-sulfonamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)propane-2-sulfonamide (CID 103834354) is N-(2-hydroxy-4-methylpentyl)propane-2-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)propane-2-sulfonamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)propane-2-sulfonamide is CC(C)CC(O)CNS(=O)(=O)C(C)C.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)propane-2-sulfonamide?
The InChIKey is FJJPXXFLAZSYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-7(2)5-9(11)6-10-14(12,13)8(3)4/h7-11H,5-6H2,1-4H3.
What are the key properties of N-(2-hydroxy-4-methylpentyl)propane-2-sulfonamide?
N-(2-hydroxy-4-methylpentyl)propane-2-sulfonamide has a molecular weight of 223.34 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)propane-2-sulfonamide is sourced from PubChem (CID 103834354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).