(2R,6S)-2,6-dimethyl-4-(3-methylsulfanyloxypropyl)morpholine

C10H21NO2S — CID 163495367

IUPAC(2R,6S)-2,6-dimethyl-4-(3-methylsulfanyloxypropyl)morpholine
SMILESCSOCCCN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C10H21NO2S/c1-9-7-11(8-10(2)13-9)5-4-6-12-14-3/h9-10H,4-8H2,1-3H3/t9-,10+
InChIKeyCQFYNIZMDHCUJA-AOOOYVTPSA-N
MW219.35 g/mol
LogP1.78
Rot. Bonds5

About (2R,6S)-2,6-dimethyl-4-(3-methylsulfanyloxypropyl)morpholine

(2R,6S)-2,6-dimethyl-4-(3-methylsulfanyloxypropyl)morpholine (PubChem CID 163495367) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-4-(3-methylsulfanyloxypropyl)morpholine.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-4-(3-methylsulfanyloxypropyl)morpholine
PubChem CID163495367
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name(2R,6S)-2,6-dimethyl-4-(3-methylsulfanyloxypropyl)morpholine
SMILESCSOCCCN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C10H21NO2S/c1-9-7-11(8-10(2)13-9)5-4-6-12-14-3/h9-10H,4-8H2,1-3H3/t9-,10+
InChIKeyCQFYNIZMDHCUJA-AOOOYVTPSA-N
XLogP1.78
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyl-4-(3-propan-2-yloxypropyl)morpholine
CID 154661277
(2S,6R)-4-(2-methoxyethyl)-2,6-dimethylmorpholine
CID 89016342
2,6-dimethyl-4-tritriacontylmorpholine
CID 150123657
2,6-dimethyl-4-[3-(2-phenylphenoxy)propyl]morpholine
CID 2935512
4-(5-chloropentyl)-2,6-dimethylmorpholine
CID 61289130
2,6-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine
CID 47811029
4-(2,6-dimethylmorpholin-4-yl)butanenitrile
CID 24695044
4-(2,6-dimethylmorpholin-4-yl)-N-methylbutan-1-amine
CID 60842262
N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]ethanesulfonamide
CID 94181344
(2S,6S)-4-[3-(2,6-dimethoxyphenoxy)propyl]-2,6-dimethylmorpholine
CID 2181813
4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propoxy]benzonitrile
CID 7380226
(2R,6R)-4-[3-(2,6-dimethoxyphenoxy)propyl]-2,6-dimethylmorpholine
CID 2181811

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-4-(3-methylsulfanyloxypropyl)morpholine?
The IUPAC name of (2R,6S)-2,6-dimethyl-4-(3-methylsulfanyloxypropyl)morpholine (CID 163495367) is (2R,6S)-2,6-dimethyl-4-(3-methylsulfanyloxypropyl)morpholine.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-4-(3-methylsulfanyloxypropyl)morpholine?
The canonical SMILES for (2R,6S)-2,6-dimethyl-4-(3-methylsulfanyloxypropyl)morpholine is CSOCCCN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (2R,6S)-2,6-dimethyl-4-(3-methylsulfanyloxypropyl)morpholine?
The InChIKey is CQFYNIZMDHCUJA-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-9-7-11(8-10(2)13-9)5-4-6-12-14-3/h9-10H,4-8H2,1-3H3/t9-,10+.
What are the key properties of (2R,6S)-2,6-dimethyl-4-(3-methylsulfanyloxypropyl)morpholine?
(2R,6S)-2,6-dimethyl-4-(3-methylsulfanyloxypropyl)morpholine has a molecular weight of 219.35 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-4-(3-methylsulfanyloxypropyl)morpholine is sourced from PubChem (CID 163495367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).