1-(3-chloropropylsulfonyl)-3-propoxypiperidine

C11H22ClNO3S — CID 61169375

IUPAC1-(3-chloropropylsulfonyl)-3-propoxypiperidine
SMILESCCCOC1CCCN(S(=O)(=O)CCCCl)C1
InChIInChI=1S/C11H22ClNO3S/c1-2-8-16-11-5-3-7-13(10-11)17(14,15)9-4-6-12/h11H,2-10H2,1H3
InChIKeyFOPLRFRYHOTRJK-UHFFFAOYSA-N
MW283.82 g/mol
LogP1.84
Rot. Bonds7

About 1-(3-chloropropylsulfonyl)-3-propoxypiperidine

1-(3-chloropropylsulfonyl)-3-propoxypiperidine (PubChem CID 61169375) has the molecular formula C11H22ClNO3S and a molecular weight of 283.82 g/mol. Its IUPAC name is 1-(3-chloropropylsulfonyl)-3-propoxypiperidine.

Molecular Properties

Compound Name1-(3-chloropropylsulfonyl)-3-propoxypiperidine
PubChem CID61169375
Molecular FormulaC11H22ClNO3S
Molecular Weight283.82 g/mol
Exact Mass283.10
IUPAC Name1-(3-chloropropylsulfonyl)-3-propoxypiperidine
SMILESCCCOC1CCCN(S(=O)(=O)CCCCl)C1
InChIInChI=1S/C11H22ClNO3S/c1-2-8-16-11-5-3-7-13(10-11)17(14,15)9-4-6-12/h11H,2-10H2,1H3
InChIKeyFOPLRFRYHOTRJK-UHFFFAOYSA-N
XLogP1.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-butoxy-1-ethylsulfonylpiperidine
CID 134556293
(3R)-3-butoxy-1-propan-2-ylsulfonylpiperidine
CID 134558375
4-Cyclobutylsulfonyl-2-propylmorpholine
CID 164172992
1-Ethylsulfonyl-3-(2-methoxyethoxy)piperidine
CID 167107600
4-(1-Chloropentane-1-sulfonyl)morpholine
CID 13256996
1-(3-Chloropropylsulfonyl)-4-methoxypiperidine
CID 43653849
4-(3-Chloropropylsulfonyl)-5-ethyl-2-methylmorpholine
CID 43653869
1-(3-Chloropropylsulfonyl)piperidin-3-ol
CID 43653903
4-(3-Chloropropylsulfonyl)-2,2-dimethylmorpholine
CID 43653908
4-(3-Chloropropylsulfonyl)-3-ethylmorpholine
CID 43653910
4-(3-Chloropropylsulfonyl)-2,6-dimethylmorpholine
CID 43653941
4-(3-Chloropropylsulfonyl)-2-methylmorpholine
CID 43653944

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropylsulfonyl)-3-propoxypiperidine?
The IUPAC name of 1-(3-chloropropylsulfonyl)-3-propoxypiperidine (CID 61169375) is 1-(3-chloropropylsulfonyl)-3-propoxypiperidine.
What is the SMILES notation for 1-(3-chloropropylsulfonyl)-3-propoxypiperidine?
The canonical SMILES for 1-(3-chloropropylsulfonyl)-3-propoxypiperidine is CCCOC1CCCN(S(=O)(=O)CCCCl)C1.
What is the InChIKey of 1-(3-chloropropylsulfonyl)-3-propoxypiperidine?
The InChIKey is FOPLRFRYHOTRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO3S/c1-2-8-16-11-5-3-7-13(10-11)17(14,15)9-4-6-12/h11H,2-10H2,1H3.
What are the key properties of 1-(3-chloropropylsulfonyl)-3-propoxypiperidine?
1-(3-chloropropylsulfonyl)-3-propoxypiperidine has a molecular weight of 283.82 g/mol, XLogP of 1.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropylsulfonyl)-3-propoxypiperidine is sourced from PubChem (CID 61169375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).