1-(4-methylpentoxy)-N-propan-2-ylmethanesulfonamide

C10H23NO3S — CID 135220418

IUPAC1-(4-methylpentoxy)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)CCCOCS(=O)(=O)NC(C)C
InChIInChI=1S/C10H23NO3S/c1-9(2)6-5-7-14-8-15(12,13)11-10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyVHARJMMBWOYLCN-UHFFFAOYSA-N
MW237.36 g/mol
LogP1.72
Rot. Bonds8

About 1-(4-methylpentoxy)-N-propan-2-ylmethanesulfonamide

1-(4-methylpentoxy)-N-propan-2-ylmethanesulfonamide (PubChem CID 135220418) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 1-(4-methylpentoxy)-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(4-methylpentoxy)-N-propan-2-ylmethanesulfonamide
PubChem CID135220418
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name1-(4-methylpentoxy)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)CCCOCS(=O)(=O)NC(C)C
InChIInChI=1S/C10H23NO3S/c1-9(2)6-5-7-14-8-15(12,13)11-10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyVHARJMMBWOYLCN-UHFFFAOYSA-N
XLogP1.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentoxy)-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1-(4-methylpentoxy)-N-propan-2-ylmethanesulfonamide (CID 135220418) is 1-(4-methylpentoxy)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-(4-methylpentoxy)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1-(4-methylpentoxy)-N-propan-2-ylmethanesulfonamide is CC(C)CCCOCS(=O)(=O)NC(C)C.
What is the InChIKey of 1-(4-methylpentoxy)-N-propan-2-ylmethanesulfonamide?
The InChIKey is VHARJMMBWOYLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-9(2)6-5-7-14-8-15(12,13)11-10(3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 1-(4-methylpentoxy)-N-propan-2-ylmethanesulfonamide?
1-(4-methylpentoxy)-N-propan-2-ylmethanesulfonamide has a molecular weight of 237.36 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentoxy)-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 135220418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).