4-tert-butylsulfonyl-6-(chloromethyl)-2,2-dimethylmorpholine

C11H22ClNO3S — CID 114781769

IUPAC4-tert-butylsulfonyl-6-(chloromethyl)-2,2-dimethylmorpholine
SMILESCC1(C)CN(S(=O)(=O)C(C)(C)C)CC(CCl)O1
InChIInChI=1S/C11H22ClNO3S/c1-10(2,3)17(14,15)13-7-9(6-12)16-11(4,5)8-13/h9H,6-8H2,1-5H3
InChIKeyBVTZVWWMSAZOPE-UHFFFAOYSA-N
MW283.82 g/mol
LogP1.83
Rot. Bonds2

About 4-tert-butylsulfonyl-6-(chloromethyl)-2,2-dimethylmorpholine

4-tert-butylsulfonyl-6-(chloromethyl)-2,2-dimethylmorpholine (PubChem CID 114781769) has the molecular formula C11H22ClNO3S and a molecular weight of 283.82 g/mol. Its IUPAC name is 4-tert-butylsulfonyl-6-(chloromethyl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-tert-butylsulfonyl-6-(chloromethyl)-2,2-dimethylmorpholine
PubChem CID114781769
Molecular FormulaC11H22ClNO3S
Molecular Weight283.82 g/mol
Exact Mass283.10
IUPAC Name4-tert-butylsulfonyl-6-(chloromethyl)-2,2-dimethylmorpholine
SMILESCC1(C)CN(S(=O)(=O)C(C)(C)C)CC(CCl)O1
InChIInChI=1S/C11H22ClNO3S/c1-10(2,3)17(14,15)13-7-9(6-12)16-11(4,5)8-13/h9H,6-8H2,1-5H3
InChIKeyBVTZVWWMSAZOPE-UHFFFAOYSA-N
XLogP1.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 51.83
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

6-(chloromethyl)-4-(cyclopropylmethylsulfonyl)-2,2-dimethylmorpholine
CID 114781770
6-(chloromethyl)-2,2-dimethyl-4-(3-methylbutylsulfonyl)morpholine
CID 114781797
6-(chloromethyl)-4-(2-chlorophenyl)sulfonyl-2,2-dimethylmorpholine
CID 114781760
6-(chloromethyl)-4-(2-ethylsulfonylethyl)-2,2-dimethylmorpholine
CID 106731416
6-(chloromethyl)-4-(3-chlorophenyl)sulfonyl-2,2-dimethylmorpholine
CID 114781786
6-(chloromethyl)-4-cyclohexyl-2,2-dimethylmorpholine
CID 114780530
(4-butylsulfonyl-6,6-dimethylmorpholin-2-yl)methanol
CID 114779112
6-(chloromethyl)-2,2-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine
CID 114780607
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
CID 114781310
6-(chloromethyl)-4-(cyclopentylmethyl)-2,2-dimethylmorpholine
CID 114780482
5-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid
CID 114776516
[4-(5-chloro-2-methylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
CID 114779155

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfonyl-6-(chloromethyl)-2,2-dimethylmorpholine?
The IUPAC name of 4-tert-butylsulfonyl-6-(chloromethyl)-2,2-dimethylmorpholine (CID 114781769) is 4-tert-butylsulfonyl-6-(chloromethyl)-2,2-dimethylmorpholine.
What is the SMILES notation for 4-tert-butylsulfonyl-6-(chloromethyl)-2,2-dimethylmorpholine?
The canonical SMILES for 4-tert-butylsulfonyl-6-(chloromethyl)-2,2-dimethylmorpholine is CC1(C)CN(S(=O)(=O)C(C)(C)C)CC(CCl)O1.
What is the InChIKey of 4-tert-butylsulfonyl-6-(chloromethyl)-2,2-dimethylmorpholine?
The InChIKey is BVTZVWWMSAZOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO3S/c1-10(2,3)17(14,15)13-7-9(6-12)16-11(4,5)8-13/h9H,6-8H2,1-5H3.
What are the key properties of 4-tert-butylsulfonyl-6-(chloromethyl)-2,2-dimethylmorpholine?
4-tert-butylsulfonyl-6-(chloromethyl)-2,2-dimethylmorpholine has a molecular weight of 283.82 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfonyl-6-(chloromethyl)-2,2-dimethylmorpholine is sourced from PubChem (CID 114781769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).