(2R)-2-hexyl-4-(4-methylphenyl)sulfonylmorpholine

C17H27NO3S — CID 101366739

IUPAC(2R)-2-hexyl-4-(4-methylphenyl)sulfonylmorpholine
SMILESCCCCCC[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)CCO1
InChIInChI=1S/C17H27NO3S/c1-3-4-5-6-7-16-14-18(12-13-21-16)22(19,20)17-10-8-15(2)9-11-17/h8-11,16H,3-7,12-14H2,1-2H3/t16-/m1/s1
InChIKeyKUVNOXZQALFEKH-MRXNPFEDSA-N
MW325.47 g/mol
LogP3.35
Rot. Bonds7

About (2R)-2-hexyl-4-(4-methylphenyl)sulfonylmorpholine

(2R)-2-hexyl-4-(4-methylphenyl)sulfonylmorpholine (PubChem CID 101366739) has the molecular formula C17H27NO3S and a molecular weight of 325.47 g/mol. Its IUPAC name is (2R)-2-hexyl-4-(4-methylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name(2R)-2-hexyl-4-(4-methylphenyl)sulfonylmorpholine
PubChem CID101366739
Molecular FormulaC17H27NO3S
Molecular Weight325.47 g/mol
Exact Mass325.17
IUPAC Name(2R)-2-hexyl-4-(4-methylphenyl)sulfonylmorpholine
SMILESCCCCCC[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)CCO1
InChIInChI=1S/C17H27NO3S/c1-3-4-5-6-7-16-14-18(12-13-21-16)22(19,20)17-10-8-15(2)9-11-17/h8-11,16H,3-7,12-14H2,1-2H3/t16-/m1/s1
InChIKeyKUVNOXZQALFEKH-MRXNPFEDSA-N
XLogP3.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.47
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)sulfonyl-3-octylpiperazin-4-ium chloride
CID 10905200
(2S)-2-hexyl-1-(4-methylphenyl)sulfonylaziridine
CID 102355352
(2R)-1-(4-methylphenyl)sulfonyl-2-octylaziridine
CID 95240344
2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 110326567
(2R)-4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine
CID 25279605
methyl (2R)-4-(4-methylphenyl)sulfonylmorpholine-2-carboxylate
CID 171059500
(3R,5R)-2-(4-methylphenyl)sulfonyl-5-nonyl-1,2-oxazolidine-3-carboxylic acid
CID 72701317
3-(2-propylmorpholin-4-yl)sulfonylbenzaldehyde
CID 167009225
[(2R)-4-(4-chlorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 42252815
4-(4-bromophenyl)sulfonyl-2-(4-methylphenyl)morpholine
CID 110326570
[(2R)-4-(3-methylphenyl)sulfonylmorpholin-2-yl]methanamine
CID 42252952
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hexyl-4-(4-methylphenyl)sulfonylmorpholine?
The IUPAC name of (2R)-2-hexyl-4-(4-methylphenyl)sulfonylmorpholine (CID 101366739) is (2R)-2-hexyl-4-(4-methylphenyl)sulfonylmorpholine.
What is the SMILES notation for (2R)-2-hexyl-4-(4-methylphenyl)sulfonylmorpholine?
The canonical SMILES for (2R)-2-hexyl-4-(4-methylphenyl)sulfonylmorpholine is CCCCCC[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)CCO1.
What is the InChIKey of (2R)-2-hexyl-4-(4-methylphenyl)sulfonylmorpholine?
The InChIKey is KUVNOXZQALFEKH-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H27NO3S/c1-3-4-5-6-7-16-14-18(12-13-21-16)22(19,20)17-10-8-15(2)9-11-17/h8-11,16H,3-7,12-14H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-2-hexyl-4-(4-methylphenyl)sulfonylmorpholine?
(2R)-2-hexyl-4-(4-methylphenyl)sulfonylmorpholine has a molecular weight of 325.47 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hexyl-4-(4-methylphenyl)sulfonylmorpholine is sourced from PubChem (CID 101366739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).