(2R)-N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methylmorpholine-4-sulfonamide

C16H27N3O3S — CID 125147251

IUPAC(2R)-N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methylmorpholine-4-sulfonamide
SMILESCC(C)c1ccc([C@H](N)CNS(=O)(=O)N2CCO[C@H](C)C2)cc1
InChIInChI=1S/C16H27N3O3S/c1-12(2)14-4-6-15(7-5-14)16(17)10-18-23(20,21)19-8-9-22-13(3)11-19/h4-7,12-13,16,18H,8-11,17H2,1-3H3/t13-,16-/m1/s1
InChIKeyWJXPQDLWNNYCTL-CZUORRHYSA-N
MW341.48 g/mol
LogP1.36
Rot. Bonds6

About (2R)-N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methylmorpholine-4-sulfonamide

(2R)-N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methylmorpholine-4-sulfonamide (PubChem CID 125147251) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is (2R)-N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methylmorpholine-4-sulfonamide
PubChem CID125147251
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Name(2R)-N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methylmorpholine-4-sulfonamide
SMILESCC(C)c1ccc([C@H](N)CNS(=O)(=O)N2CCO[C@H](C)C2)cc1
InChIInChI=1S/C16H27N3O3S/c1-12(2)14-4-6-15(7-5-14)16(17)10-18-23(20,21)19-8-9-22-13(3)11-19/h4-7,12-13,16,18H,8-11,17H2,1-3H3/t13-,16-/m1/s1
InChIKeyWJXPQDLWNNYCTL-CZUORRHYSA-N
XLogP1.36
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(2R)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methylmorpholine-4-sulfonamide
CID 124682455
(2R)-N-[(2R)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methylmorpholine-4-sulfonamide
CID 125147250
(2R,6R)-N-[(2S)-2-amino-2-phenylethyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 124670346
2-methyl-N-propan-2-ylmorpholine-4-sulfonamide
CID 110631373
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]methanesulfonamide
CID 75431092
2-(1-aminoethyl)-N-(2-methylpropyl)morpholine-4-sulfonamide
CID 114816233
N-(2-amino-2-phenylethyl)-4-methylpiperidine-1-sulfonamide;hydrochloride
CID 119976296
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-cyclopropylmethanesulfonamide
CID 119998764
(2S)-2-methyl-N-(3-trimethylsilylpropyl)morpholine-4-sulfonamide
CID 100761665
1-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]propan-1-amine
CID 60873972
1-(4-propan-2-ylphenyl)-N'-(propan-2-ylsulfamoyl)ethane-1,2-diamine
CID 120874949
4-(2-methylpropylsulfamoyl)morpholine-2-carboxylic acid
CID 114814511

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methylmorpholine-4-sulfonamide?
The IUPAC name of (2R)-N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methylmorpholine-4-sulfonamide (CID 125147251) is (2R)-N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methylmorpholine-4-sulfonamide.
What is the SMILES notation for (2R)-N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methylmorpholine-4-sulfonamide?
The canonical SMILES for (2R)-N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methylmorpholine-4-sulfonamide is CC(C)c1ccc([C@H](N)CNS(=O)(=O)N2CCO[C@H](C)C2)cc1.
What is the InChIKey of (2R)-N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methylmorpholine-4-sulfonamide?
The InChIKey is WJXPQDLWNNYCTL-CZUORRHYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-12(2)14-4-6-15(7-5-14)16(17)10-18-23(20,21)19-8-9-22-13(3)11-19/h4-7,12-13,16,18H,8-11,17H2,1-3H3/t13-,16-/m1/s1.
What are the key properties of (2R)-N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methylmorpholine-4-sulfonamide?
(2R)-N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methylmorpholine-4-sulfonamide has a molecular weight of 341.48 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methylmorpholine-4-sulfonamide is sourced from PubChem (CID 125147251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).