N-(3-methoxypropyl)-4-methylsulfanylbenzenesulfonamide

C11H17NO3S2 — CID 2968458

IUPACN-(3-methoxypropyl)-4-methylsulfanylbenzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C11H17NO3S2/c1-15-9-3-8-12-17(13,14)11-6-4-10(16-2)5-7-11/h4-7,12H,3,8-9H2,1-2H3
InChIKeyOIVFKYFZIJRUPB-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.72
Rot. Bonds7

About N-(3-methoxypropyl)-4-methylsulfanylbenzenesulfonamide

N-(3-methoxypropyl)-4-methylsulfanylbenzenesulfonamide (PubChem CID 2968458) has the molecular formula C11H17NO3S2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-methylsulfanylbenzenesulfonamide
PubChem CID2968458
Molecular FormulaC11H17NO3S2
Molecular Weight275.39 g/mol
Exact Mass275.06
IUPAC NameN-(3-methoxypropyl)-4-methylsulfanylbenzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C11H17NO3S2/c1-15-9-3-8-12-17(13,14)11-6-4-10(16-2)5-7-11/h4-7,12H,3,8-9H2,1-2H3
InChIKeyOIVFKYFZIJRUPB-UHFFFAOYSA-N
XLogP1.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-(3-methoxypropyl)-4-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-(3-methoxypropyl)-4-methylsulfanylbenzenesulfonamide (CID 2968458) is N-(3-methoxypropyl)-4-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-(3-methoxypropyl)-4-methylsulfanylbenzenesulfonamide is COCCCNS(=O)(=O)c1ccc(SC)cc1.
What is the InChIKey of N-(3-methoxypropyl)-4-methylsulfanylbenzenesulfonamide?
The InChIKey is OIVFKYFZIJRUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S2/c1-15-9-3-8-12-17(13,14)11-6-4-10(16-2)5-7-11/h4-7,12H,3,8-9H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)-4-methylsulfanylbenzenesulfonamide?
N-(3-methoxypropyl)-4-methylsulfanylbenzenesulfonamide has a molecular weight of 275.39 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 2968458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).