1-[(2S)-4-(4-ethylsulfonylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine

C15H24N2O3S — CID 99790126

IUPAC1-[(2S)-4-(4-ethylsulfonylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine
SMILESCCS(=O)(=O)c1ccc(N2CCO[C@@H](CN(C)C)C2)cc1
InChIInChI=1S/C15H24N2O3S/c1-4-21(18,19)15-7-5-13(6-8-15)17-9-10-20-14(12-17)11-16(2)3/h5-8,14H,4,9-12H2,1-3H3/t14-/m0/s1
InChIKeyMVRNOUCOVIJHKU-AWEZNQCLSA-N
MW312.44 g/mol
LogP1.25
Rot. Bonds5

About 1-[(2S)-4-(4-ethylsulfonylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine

1-[(2S)-4-(4-ethylsulfonylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine (PubChem CID 99790126) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-[(2S)-4-(4-ethylsulfonylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(2S)-4-(4-ethylsulfonylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine
PubChem CID99790126
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name1-[(2S)-4-(4-ethylsulfonylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine
SMILESCCS(=O)(=O)c1ccc(N2CCO[C@@H](CN(C)C)C2)cc1
InChIInChI=1S/C15H24N2O3S/c1-4-21(18,19)15-7-5-13(6-8-15)17-9-10-20-14(12-17)11-16(2)3/h5-8,14H,4,9-12H2,1-3H3/t14-/m0/s1
InChIKeyMVRNOUCOVIJHKU-AWEZNQCLSA-N
XLogP1.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-benzyl-4-(4-ethylsulfonylphenyl)morpholine
CID 125138388
N,N-dimethyl-1-[(2S)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholin-2-yl]methanamine
CID 172543618
methyl 4-(4-ethylsulfonylphenyl)morpholine-2-carboxylate
CID 115538578
2-(chloromethyl)-4-(4-methylsulfonylphenyl)morpholine
CID 81209851
4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide
CID 81219831
(4aR,8aS)-6-(4-ethylsulfonylphenyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 99858151
methyl 2-[4-(4-methylsulfonylphenyl)morpholin-2-yl]acetate
CID 115538670
(3S,4R)-1-(4-ethylsulfonylphenyl)-4-methylpiperidin-3-ol
CID 99790197
(2S)-2-ethyl-4-(4-nitrophenyl)morpholine
CID 95151191
(3R)-1-(4-ethylsulfonylphenyl)piperidin-3-amine
CID 102986553
2-(bromomethyl)-4-(4-ethylsulfonylphenyl)-6-methylmorpholine
CID 102937216
1-[4-(5-ethyl-2-pyridinyl)morpholin-2-yl]-N,N-dimethylmethanamine
CID 70962971

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-(4-ethylsulfonylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(2S)-4-(4-ethylsulfonylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine (CID 99790126) is 1-[(2S)-4-(4-ethylsulfonylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(2S)-4-(4-ethylsulfonylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(2S)-4-(4-ethylsulfonylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine is CCS(=O)(=O)c1ccc(N2CCO[C@@H](CN(C)C)C2)cc1.
What is the InChIKey of 1-[(2S)-4-(4-ethylsulfonylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is MVRNOUCOVIJHKU-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-21(18,19)15-7-5-13(6-8-15)17-9-10-20-14(12-17)11-16(2)3/h5-8,14H,4,9-12H2,1-3H3/t14-/m0/s1.
What are the key properties of 1-[(2S)-4-(4-ethylsulfonylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine?
1-[(2S)-4-(4-ethylsulfonylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 312.44 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-(4-ethylsulfonylphenyl)morpholin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 99790126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).