4-(3-methoxypropylsulfonyl)piperidine

C9H19NO3S — CID 57420363

IUPAC4-(3-methoxypropylsulfonyl)piperidine
SMILESCOCCCS(=O)(=O)C1CCNCC1
InChIInChI=1S/C9H19NO3S/c1-13-7-2-8-14(11,12)9-3-5-10-6-4-9/h9-10H,2-8H2,1H3
InChIKeyYLCIMXOHKYRPCM-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.19
Rot. Bonds5

About 4-(3-methoxypropylsulfonyl)piperidine

4-(3-methoxypropylsulfonyl)piperidine (PubChem CID 57420363) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 4-(3-methoxypropylsulfonyl)piperidine.

Molecular Properties

Compound Name4-(3-methoxypropylsulfonyl)piperidine
PubChem CID57420363
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name4-(3-methoxypropylsulfonyl)piperidine
SMILESCOCCCS(=O)(=O)C1CCNCC1
InChIInChI=1S/C9H19NO3S/c1-13-7-2-8-14(11,12)9-3-5-10-6-4-9/h9-10H,2-8H2,1H3
InChIKeyYLCIMXOHKYRPCM-UHFFFAOYSA-N
XLogP0.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.19
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 4-(3-methoxypropylsulfonyl)piperidine?
The IUPAC name of 4-(3-methoxypropylsulfonyl)piperidine (CID 57420363) is 4-(3-methoxypropylsulfonyl)piperidine.
What is the SMILES notation for 4-(3-methoxypropylsulfonyl)piperidine?
The canonical SMILES for 4-(3-methoxypropylsulfonyl)piperidine is COCCCS(=O)(=O)C1CCNCC1.
What is the InChIKey of 4-(3-methoxypropylsulfonyl)piperidine?
The InChIKey is YLCIMXOHKYRPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-13-7-2-8-14(11,12)9-3-5-10-6-4-9/h9-10H,2-8H2,1H3.
What are the key properties of 4-(3-methoxypropylsulfonyl)piperidine?
4-(3-methoxypropylsulfonyl)piperidine has a molecular weight of 221.32 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropylsulfonyl)piperidine is sourced from PubChem (CID 57420363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).