4-[(1R)-1-chlorobutyl]sulfonylmorpholine

C8H16ClNO3S — CID 820154

IUPAC4-[(1R)-1-chlorobutyl]sulfonylmorpholine
SMILESCCC[C@@H](Cl)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C8H16ClNO3S/c1-2-3-8(9)14(11,12)10-4-6-13-7-5-10/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyVZAKXPODXDPZME-QMMMGPOBSA-N
MW241.74 g/mol
LogP1.01
Rot. Bonds4

About 4-[(1R)-1-chlorobutyl]sulfonylmorpholine

4-[(1R)-1-chlorobutyl]sulfonylmorpholine (PubChem CID 820154) has the molecular formula C8H16ClNO3S and a molecular weight of 241.74 g/mol. Its IUPAC name is 4-[(1R)-1-chlorobutyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[(1R)-1-chlorobutyl]sulfonylmorpholine
PubChem CID820154
Molecular FormulaC8H16ClNO3S
Molecular Weight241.74 g/mol
Exact Mass241.05
IUPAC Name4-[(1R)-1-chlorobutyl]sulfonylmorpholine
SMILESCCC[C@@H](Cl)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C8H16ClNO3S/c1-2-3-8(9)14(11,12)10-4-6-13-7-5-10/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyVZAKXPODXDPZME-QMMMGPOBSA-N
XLogP1.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 51.01
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-[(1R)-1-chlorobutyl]sulfonylmorpholine?
The IUPAC name of 4-[(1R)-1-chlorobutyl]sulfonylmorpholine (CID 820154) is 4-[(1R)-1-chlorobutyl]sulfonylmorpholine.
What is the SMILES notation for 4-[(1R)-1-chlorobutyl]sulfonylmorpholine?
The canonical SMILES for 4-[(1R)-1-chlorobutyl]sulfonylmorpholine is CCC[C@@H](Cl)S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-[(1R)-1-chlorobutyl]sulfonylmorpholine?
The InChIKey is VZAKXPODXDPZME-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16ClNO3S/c1-2-3-8(9)14(11,12)10-4-6-13-7-5-10/h8H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of 4-[(1R)-1-chlorobutyl]sulfonylmorpholine?
4-[(1R)-1-chlorobutyl]sulfonylmorpholine has a molecular weight of 241.74 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-chlorobutyl]sulfonylmorpholine is sourced from PubChem (CID 820154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).