1-hydroxy-N-(5-methoxypentyl)propane-2-sulfonamide

C9H21NO4S — CID 106002074

IUPAC1-hydroxy-N-(5-methoxypentyl)propane-2-sulfonamide
SMILESCOCCCCCNS(=O)(=O)C(C)CO
InChIInChI=1S/C9H21NO4S/c1-9(8-11)15(12,13)10-6-4-3-5-7-14-2/h9-11H,3-8H2,1-2H3
InChIKeyYJCNXFPOAQSLDA-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.10
Rot. Bonds9

About 1-hydroxy-N-(5-methoxypentyl)propane-2-sulfonamide

1-hydroxy-N-(5-methoxypentyl)propane-2-sulfonamide (PubChem CID 106002074) has the molecular formula C9H21NO4S and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-hydroxy-N-(5-methoxypentyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-hydroxy-N-(5-methoxypentyl)propane-2-sulfonamide
PubChem CID106002074
Molecular FormulaC9H21NO4S
Molecular Weight239.34 g/mol
Exact Mass239.12
IUPAC Name1-hydroxy-N-(5-methoxypentyl)propane-2-sulfonamide
SMILESCOCCCCCNS(=O)(=O)C(C)CO
InChIInChI=1S/C9H21NO4S/c1-9(8-11)15(12,13)10-6-4-3-5-7-14-2/h9-11H,3-8H2,1-2H3
InChIKeyYJCNXFPOAQSLDA-UHFFFAOYSA-N
XLogP0.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(cyclopropylamino)-N-(5-methoxypentyl)propane-2-sulfonamide
CID 106092684
N-(5-methoxypentyl)methanesulfonamide
CID 103632034
3-hydroxy-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106002038
N-(5-methoxypentyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 114131476
methanesulfonic acid;4-methoxybutan-1-ol
CID 71419271
2-methoxy-N-(4-methoxybutyl)ethanesulfonamide
CID 110416443
(2S,3R)-3-(5-methoxypentylamino)-2-methylbutan-1-ol
CID 97307244
1-[4-(hydroxymethyl)phenyl]-N-(5-methoxypentyl)methanesulfonamide
CID 106002081
N-(5-hydroxypentyl)-2-methoxyethanesulfonamide
CID 107319418
3-(4-methoxybutylamino)-2-methylpropan-1-ol
CID 104647456
2-(4-methoxybutylamino)-3-methylbutan-1-ol
CID 104647484
5-(4-methoxybutylamino)-2-methylpentan-1-ol
CID 106160167

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-(5-methoxypentyl)propane-2-sulfonamide?
The IUPAC name of 1-hydroxy-N-(5-methoxypentyl)propane-2-sulfonamide (CID 106002074) is 1-hydroxy-N-(5-methoxypentyl)propane-2-sulfonamide.
What is the SMILES notation for 1-hydroxy-N-(5-methoxypentyl)propane-2-sulfonamide?
The canonical SMILES for 1-hydroxy-N-(5-methoxypentyl)propane-2-sulfonamide is COCCCCCNS(=O)(=O)C(C)CO.
What is the InChIKey of 1-hydroxy-N-(5-methoxypentyl)propane-2-sulfonamide?
The InChIKey is YJCNXFPOAQSLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO4S/c1-9(8-11)15(12,13)10-6-4-3-5-7-14-2/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-hydroxy-N-(5-methoxypentyl)propane-2-sulfonamide?
1-hydroxy-N-(5-methoxypentyl)propane-2-sulfonamide has a molecular weight of 239.34 g/mol, XLogP of 0.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-(5-methoxypentyl)propane-2-sulfonamide is sourced from PubChem (CID 106002074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).