4-[(2-chlorophenyl)methylsulfonyl]-2-methylmorpholine

C12H16ClNO3S — CID 110292466

IUPAC4-[(2-chlorophenyl)methylsulfonyl]-2-methylmorpholine
SMILESCC1CN(S(=O)(=O)Cc2ccccc2Cl)CCO1
InChIInChI=1S/C12H16ClNO3S/c1-10-8-14(6-7-17-10)18(15,16)9-11-4-2-3-5-12(11)13/h2-5,10H,6-9H2,1H3
InChIKeyMIHHURRASLESBC-UHFFFAOYSA-N
MW289.78 g/mol
LogP1.89
Rot. Bonds3

About 4-[(2-chlorophenyl)methylsulfonyl]-2-methylmorpholine

4-[(2-chlorophenyl)methylsulfonyl]-2-methylmorpholine (PubChem CID 110292466) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methylsulfonyl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methylsulfonyl]-2-methylmorpholine
PubChem CID110292466
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Name4-[(2-chlorophenyl)methylsulfonyl]-2-methylmorpholine
SMILESCC1CN(S(=O)(=O)Cc2ccccc2Cl)CCO1
InChIInChI=1S/C12H16ClNO3S/c1-10-8-14(6-7-17-10)18(15,16)9-11-4-2-3-5-12(11)13/h2-5,10H,6-9H2,1H3
InChIKeyMIHHURRASLESBC-UHFFFAOYSA-N
XLogP1.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methylsulfonyl]-3-methylpyrrolidine
CID 110749811
4-[(2-chlorophenyl)methylsulfonyl]-2-(4-methoxyphenyl)morpholine
CID 110327273
(2S)-1,4-bis[(2-chlorophenyl)methylsulfonyl]-2-methylpiperazine
CID 41301352
1-[(2-chlorophenyl)methylsulfonyl]-3,5-dimethylpiperidine
CID 17257572
(2S)-4-[(2-chlorophenyl)methylsulfonyl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 97344782
1-[(2-chlorophenyl)methylsulfonyl]-3-methylsulfonylpyrrolidine
CID 72717812
2-benzyl-4-[(2-chlorophenyl)methylsulfonyl]-6-methylmorpholine
CID 110644230
1-(2-chlorophenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]methanesulfonamide
CID 110637339
(2R)-2-methyl-4-(2-phenylethylsulfonyl)morpholine
CID 51710241
2-[(2-chlorophenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867919
1-[(2-chlorophenyl)methylsulfonyl]-N,N-dimethylpiperidin-4-amine
CID 110868589
1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-amine
CID 119959043

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methylsulfonyl]-2-methylmorpholine?
The IUPAC name of 4-[(2-chlorophenyl)methylsulfonyl]-2-methylmorpholine (CID 110292466) is 4-[(2-chlorophenyl)methylsulfonyl]-2-methylmorpholine.
What is the SMILES notation for 4-[(2-chlorophenyl)methylsulfonyl]-2-methylmorpholine?
The canonical SMILES for 4-[(2-chlorophenyl)methylsulfonyl]-2-methylmorpholine is CC1CN(S(=O)(=O)Cc2ccccc2Cl)CCO1.
What is the InChIKey of 4-[(2-chlorophenyl)methylsulfonyl]-2-methylmorpholine?
The InChIKey is MIHHURRASLESBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c1-10-8-14(6-7-17-10)18(15,16)9-11-4-2-3-5-12(11)13/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-[(2-chlorophenyl)methylsulfonyl]-2-methylmorpholine?
4-[(2-chlorophenyl)methylsulfonyl]-2-methylmorpholine has a molecular weight of 289.78 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methylsulfonyl]-2-methylmorpholine is sourced from PubChem (CID 110292466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).