N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2,2-dimethylpropan-1-amine

C13H28N2O3S — CID 95177772

IUPACN-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2,2-dimethylpropan-1-amine
SMILESC[C@@H]1CN(S(=O)(=O)CCNCC(C)(C)C)C[C@H](C)O1
InChIInChI=1S/C13H28N2O3S/c1-11-8-15(9-12(2)18-11)19(16,17)7-6-14-10-13(3,4)5/h11-12,14H,6-10H2,1-5H3/t11-,12+
InChIKeyMEYQPHBTFKEDOU-TXEJJXNPSA-N
MW292.44 g/mol
LogP1.06
Rot. Bonds5

About N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2,2-dimethylpropan-1-amine

N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2,2-dimethylpropan-1-amine (PubChem CID 95177772) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2,2-dimethylpropan-1-amine
PubChem CID95177772
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC NameN-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2,2-dimethylpropan-1-amine
SMILESC[C@@H]1CN(S(=O)(=O)CCNCC(C)(C)C)C[C@H](C)O1
InChIInChI=1S/C13H28N2O3S/c1-11-8-15(9-12(2)18-11)19(16,17)7-6-14-10-13(3,4)5/h11-12,14H,6-10H2,1-5H3/t11-,12+
InChIKeyMEYQPHBTFKEDOU-TXEJJXNPSA-N
XLogP1.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-((morpholin-2-yl)methyl)methanesulfonamide
CID 43602761
4-(Ethylsulfonyl)-2,6-dimethylmorpholine
CID 303121
N-methyl-1-(morpholin-2-yl)methanesulfonamide hydrochloride
CID 134691047
2,2-dimethyl-N-(2-morpholin-4-ylsulfonylethyl)propan-1-amine
CID 71933162
N-[2-(2,2-Dimethylmorpholin-4-YL)ethyl]propane-1-sulfonamide
CID 86817595
N-[2-[(2R)-2-tert-butylmorpholin-4-yl]sulfonylethyl]ethanesulfonamide
CID 124299286
N-methyl-1-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine
CID 83058104
4,4,4-trifluoro-N-methyl-N-(morpholin-2-ylmethyl)butane-1-sulfonamide
CID 83058240
4,4,4-trifluoro-N-(morpholin-2-ylmethyl)butane-1-sulfonamide
CID 83067874
[4-(4,4,4-Trifluorobutylsulfonyl)morpholin-2-yl]methanamine
CID 83068167
N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-fluoropropane-1-sulfonamide
CID 86803160
[6-Methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine
CID 102938509

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2,2-dimethylpropan-1-amine (CID 95177772) is N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2,2-dimethylpropan-1-amine is C[C@@H]1CN(S(=O)(=O)CCNCC(C)(C)C)C[C@H](C)O1.
What is the InChIKey of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2,2-dimethylpropan-1-amine?
The InChIKey is MEYQPHBTFKEDOU-TXEJJXNPSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-11-8-15(9-12(2)18-11)19(16,17)7-6-14-10-13(3,4)5/h11-12,14H,6-10H2,1-5H3/t11-,12+.
What are the key properties of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2,2-dimethylpropan-1-amine?
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2,2-dimethylpropan-1-amine has a molecular weight of 292.44 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 95177772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).