4-(1-chloropentylsulfonyl)morpholine

C9H18ClNO3S — CID 13256996

IUPAC4-(1-chloropentylsulfonyl)morpholine
SMILESCCCCC(Cl)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H18ClNO3S/c1-2-3-4-9(10)15(12,13)11-5-7-14-8-6-11/h9H,2-8H2,1H3
InChIKeyHTUXRLOSVWSRBN-UHFFFAOYSA-N
MW255.77 g/mol
LogP1.40
Rot. Bonds5

About 4-(1-chloropentylsulfonyl)morpholine

4-(1-chloropentylsulfonyl)morpholine (PubChem CID 13256996) has the molecular formula C9H18ClNO3S and a molecular weight of 255.77 g/mol. Its IUPAC name is 4-(1-chloropentylsulfonyl)morpholine.

Molecular Properties

Compound Name4-(1-chloropentylsulfonyl)morpholine
PubChem CID13256996
Molecular FormulaC9H18ClNO3S
Molecular Weight255.77 g/mol
Exact Mass255.07
IUPAC Name4-(1-chloropentylsulfonyl)morpholine
SMILESCCCCC(Cl)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H18ClNO3S/c1-2-3-4-9(10)15(12,13)11-5-7-14-8-6-11/h9H,2-8H2,1H3
InChIKeyHTUXRLOSVWSRBN-UHFFFAOYSA-N
XLogP1.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-chloropentylsulfonyl)morpholine?
The IUPAC name of 4-(1-chloropentylsulfonyl)morpholine (CID 13256996) is 4-(1-chloropentylsulfonyl)morpholine.
What is the SMILES notation for 4-(1-chloropentylsulfonyl)morpholine?
The canonical SMILES for 4-(1-chloropentylsulfonyl)morpholine is CCCCC(Cl)S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-(1-chloropentylsulfonyl)morpholine?
The InChIKey is HTUXRLOSVWSRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO3S/c1-2-3-4-9(10)15(12,13)11-5-7-14-8-6-11/h9H,2-8H2,1H3.
What are the key properties of 4-(1-chloropentylsulfonyl)morpholine?
4-(1-chloropentylsulfonyl)morpholine has a molecular weight of 255.77 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloropentylsulfonyl)morpholine is sourced from PubChem (CID 13256996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).