(2S)-2-butylsulfonyl-2-chloro-1-morpholin-4-ylethanone

C10H18ClNO4S — CID 92652719

IUPAC(2S)-2-butylsulfonyl-2-chloro-1-morpholin-4-ylethanone
SMILESCCCCS(=O)(=O)[C@@H](Cl)C(=O)N1CCOCC1
InChIInChI=1S/C10H18ClNO4S/c1-2-3-8-17(14,15)9(11)10(13)12-4-6-16-7-5-12/h9H,2-8H2,1H3/t9-/m1/s1
InChIKeyUFBWFPMBADOLQY-SECBINFHSA-N
MW283.78 g/mol
LogP0.62
Rot. Bonds5

About (2S)-2-butylsulfonyl-2-chloro-1-morpholin-4-ylethanone

(2S)-2-butylsulfonyl-2-chloro-1-morpholin-4-ylethanone (PubChem CID 92652719) has the molecular formula C10H18ClNO4S and a molecular weight of 283.78 g/mol. Its IUPAC name is (2S)-2-butylsulfonyl-2-chloro-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name(2S)-2-butylsulfonyl-2-chloro-1-morpholin-4-ylethanone
PubChem CID92652719
Molecular FormulaC10H18ClNO4S
Molecular Weight283.78 g/mol
Exact Mass283.06
IUPAC Name(2S)-2-butylsulfonyl-2-chloro-1-morpholin-4-ylethanone
SMILESCCCCS(=O)(=O)[C@@H](Cl)C(=O)N1CCOCC1
InChIInChI=1S/C10H18ClNO4S/c1-2-3-8-17(14,15)9(11)10(13)12-4-6-16-7-5-12/h9H,2-8H2,1H3/t9-/m1/s1
InChIKeyUFBWFPMBADOLQY-SECBINFHSA-N
XLogP0.62
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-morpholin-4-ylhexan-1-one
CID 62226127
2-chloro-1-morpholin-4-ylnonan-1-one
CID 55048109
2-chloro-1-morpholin-4-ylbutan-1-one
CID 62226878
1-morpholin-4-yl-2-propylhexan-1-one
CID 146231854
(2S)-2-chloro-1-morpholin-4-ylpropan-1-one
CID 2434799
(2R)-2-hydroxy-1-morpholin-4-ylbutan-1-one
CID 69457105
(2S)-2-amino-1-(1,4-oxazepan-4-yl)hexan-1-one
CID 94907338
2-(3-methylsulfonylpropylamino)-1-morpholin-4-ylpropan-1-one
CID 54905141
2-chloro-1-(1,4-oxazepan-4-yl)propan-1-one
CID 62986954
2-isocyano-1-morpholin-4-ylbutan-1-one
CID 134865549
ethane;1-morpholin-4-ylhexan-1-one
CID 143214280
1-morpholin-4-ylheptan-1-one;hydrochloride
CID 175124060

Frequently Asked Questions

What is the IUPAC name of (2S)-2-butylsulfonyl-2-chloro-1-morpholin-4-ylethanone?
The IUPAC name of (2S)-2-butylsulfonyl-2-chloro-1-morpholin-4-ylethanone (CID 92652719) is (2S)-2-butylsulfonyl-2-chloro-1-morpholin-4-ylethanone.
What is the SMILES notation for (2S)-2-butylsulfonyl-2-chloro-1-morpholin-4-ylethanone?
The canonical SMILES for (2S)-2-butylsulfonyl-2-chloro-1-morpholin-4-ylethanone is CCCCS(=O)(=O)[C@@H](Cl)C(=O)N1CCOCC1.
What is the InChIKey of (2S)-2-butylsulfonyl-2-chloro-1-morpholin-4-ylethanone?
The InChIKey is UFBWFPMBADOLQY-SECBINFHSA-N. The full InChI is InChI=1S/C10H18ClNO4S/c1-2-3-8-17(14,15)9(11)10(13)12-4-6-16-7-5-12/h9H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of (2S)-2-butylsulfonyl-2-chloro-1-morpholin-4-ylethanone?
(2S)-2-butylsulfonyl-2-chloro-1-morpholin-4-ylethanone has a molecular weight of 283.78 g/mol, XLogP of 0.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-butylsulfonyl-2-chloro-1-morpholin-4-ylethanone is sourced from PubChem (CID 92652719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).