4-(3-chloro-2-methylpropyl)sulfonylmorpholine

C8H16ClNO3S — CID 79579785

IUPAC4-(3-chloro-2-methylpropyl)sulfonylmorpholine
SMILESCC(CCl)CS(=O)(=O)N1CCOCC1
InChIInChI=1S/C8H16ClNO3S/c1-8(6-9)7-14(11,12)10-2-4-13-5-3-10/h8H,2-7H2,1H3
InChIKeyFPXLMAGPNCRBEF-UHFFFAOYSA-N
MW241.74 g/mol
LogP0.52
Rot. Bonds4

About 4-(3-chloro-2-methylpropyl)sulfonylmorpholine

4-(3-chloro-2-methylpropyl)sulfonylmorpholine (PubChem CID 79579785) has the molecular formula C8H16ClNO3S and a molecular weight of 241.74 g/mol. Its IUPAC name is 4-(3-chloro-2-methylpropyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(3-chloro-2-methylpropyl)sulfonylmorpholine
PubChem CID79579785
Molecular FormulaC8H16ClNO3S
Molecular Weight241.74 g/mol
Exact Mass241.05
IUPAC Name4-(3-chloro-2-methylpropyl)sulfonylmorpholine
SMILESCC(CCl)CS(=O)(=O)N1CCOCC1
InChIInChI=1S/C8H16ClNO3S/c1-8(6-9)7-14(11,12)10-2-4-13-5-3-10/h8H,2-7H2,1H3
InChIKeyFPXLMAGPNCRBEF-UHFFFAOYSA-N
XLogP0.52
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 ≤ 50.52
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

(2S)-2-methyl-3-morpholin-4-ylsulfonylpropanoic acid
CID 42035723
3-chloro-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide
CID 79586284
4-(3-chloro-2-methylpropyl)sulfonyl-7,7-dimethyl-1,4-thiazepane
CID 107458005
1-[4-(3-chloro-2-methylpropyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone
CID 79585388
1-(3-chloro-2-methylpropyl)sulfonyl-3-propan-2-ylazetidin-3-ol
CID 107858942
N-(1-chloro-3-methylbutan-2-yl)morpholine-4-sulfonamide
CID 79267830
1-(3-chloro-2-methylpropyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine
CID 79556528
4-(2-methylsulfonylethylsulfonyl)morpholine
CID 64591555
1-(3-chloro-2-methylpropyl)sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82749613
1-(3-chloro-2-methylpropyl)sulfonyl-2-cyclopentylpyrrolidine
CID 79585341
propan-2-yl 3-morpholin-4-ylsulfonylpropanoate
CID 112724899
N-(1-chlorobutan-2-yl)morpholine-4-sulfonamide
CID 65033713

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-methylpropyl)sulfonylmorpholine?
The IUPAC name of 4-(3-chloro-2-methylpropyl)sulfonylmorpholine (CID 79579785) is 4-(3-chloro-2-methylpropyl)sulfonylmorpholine.
What is the SMILES notation for 4-(3-chloro-2-methylpropyl)sulfonylmorpholine?
The canonical SMILES for 4-(3-chloro-2-methylpropyl)sulfonylmorpholine is CC(CCl)CS(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-(3-chloro-2-methylpropyl)sulfonylmorpholine?
The InChIKey is FPXLMAGPNCRBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO3S/c1-8(6-9)7-14(11,12)10-2-4-13-5-3-10/h8H,2-7H2,1H3.
What are the key properties of 4-(3-chloro-2-methylpropyl)sulfonylmorpholine?
4-(3-chloro-2-methylpropyl)sulfonylmorpholine has a molecular weight of 241.74 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-methylpropyl)sulfonylmorpholine is sourced from PubChem (CID 79579785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).