6-(chloromethyl)-2,2-dimethyl-4-(3-methylbutylsulfonyl)morpholine

C12H24ClNO3S — CID 114781797

IUPAC6-(chloromethyl)-2,2-dimethyl-4-(3-methylbutylsulfonyl)morpholine
SMILESCC(C)CCS(=O)(=O)N1CC(CCl)OC(C)(C)C1
InChIInChI=1S/C12H24ClNO3S/c1-10(2)5-6-18(15,16)14-8-11(7-13)17-12(3,4)9-14/h10-11H,5-9H2,1-4H3
InChIKeyLWMHNZQQVSYFKW-UHFFFAOYSA-N
MW297.85 g/mol
LogP2.08
Rot. Bonds5

About 6-(chloromethyl)-2,2-dimethyl-4-(3-methylbutylsulfonyl)morpholine

6-(chloromethyl)-2,2-dimethyl-4-(3-methylbutylsulfonyl)morpholine (PubChem CID 114781797) has the molecular formula C12H24ClNO3S and a molecular weight of 297.85 g/mol. Its IUPAC name is 6-(chloromethyl)-2,2-dimethyl-4-(3-methylbutylsulfonyl)morpholine.

Molecular Properties

Compound Name6-(chloromethyl)-2,2-dimethyl-4-(3-methylbutylsulfonyl)morpholine
PubChem CID114781797
Molecular FormulaC12H24ClNO3S
Molecular Weight297.85 g/mol
Exact Mass297.12
IUPAC Name6-(chloromethyl)-2,2-dimethyl-4-(3-methylbutylsulfonyl)morpholine
SMILESCC(C)CCS(=O)(=O)N1CC(CCl)OC(C)(C)C1
InChIInChI=1S/C12H24ClNO3S/c1-10(2)5-6-18(15,16)14-8-11(7-13)17-12(3,4)9-14/h10-11H,5-9H2,1-4H3
InChIKeyLWMHNZQQVSYFKW-UHFFFAOYSA-N
XLogP2.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.85
LogP ≤ 52.08
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
4-tert-butylsulfonyl-6-(chloromethyl)-2,2-dimethylmorpholine
CID 114781769
(4-butylsulfonyl-6,6-dimethylmorpholin-2-yl)methanol
CID 114779112
6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropylsulfonyl)morpholine
CID 114781810
6-(chloromethyl)-4-(2-ethylsulfonylethyl)-2,2-dimethylmorpholine
CID 106731416
6-(chloromethyl)-2,2-dimethyl-4-pentan-2-ylmorpholine
CID 107887624
6-(chloromethyl)-4-(2-chlorophenyl)sulfonyl-2,2-dimethylmorpholine
CID 114781760
[6,6-dimethyl-4-(2-piperidin-4-ylethylsulfonyl)morpholin-2-yl]methanol
CID 114777054
ethyl 3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylpropanoate
CID 114779075
6-(chloromethyl)-4-(3-chlorophenyl)sulfonyl-2,2-dimethylmorpholine
CID 114781786
methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylacetate
CID 114779073
1-(3-methylbutylsulfonyl)piperidine
CID 58689013

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-2,2-dimethyl-4-(3-methylbutylsulfonyl)morpholine?
The IUPAC name of 6-(chloromethyl)-2,2-dimethyl-4-(3-methylbutylsulfonyl)morpholine (CID 114781797) is 6-(chloromethyl)-2,2-dimethyl-4-(3-methylbutylsulfonyl)morpholine.
What is the SMILES notation for 6-(chloromethyl)-2,2-dimethyl-4-(3-methylbutylsulfonyl)morpholine?
The canonical SMILES for 6-(chloromethyl)-2,2-dimethyl-4-(3-methylbutylsulfonyl)morpholine is CC(C)CCS(=O)(=O)N1CC(CCl)OC(C)(C)C1.
What is the InChIKey of 6-(chloromethyl)-2,2-dimethyl-4-(3-methylbutylsulfonyl)morpholine?
The InChIKey is LWMHNZQQVSYFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO3S/c1-10(2)5-6-18(15,16)14-8-11(7-13)17-12(3,4)9-14/h10-11H,5-9H2,1-4H3.
What are the key properties of 6-(chloromethyl)-2,2-dimethyl-4-(3-methylbutylsulfonyl)morpholine?
6-(chloromethyl)-2,2-dimethyl-4-(3-methylbutylsulfonyl)morpholine has a molecular weight of 297.85 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-2,2-dimethyl-4-(3-methylbutylsulfonyl)morpholine is sourced from PubChem (CID 114781797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).