tert-butyl (2R)-2-[1-(3-morpholin-4-ylsulfonylphenyl)ethylamino]propanoate

C19H30N2O5S — CID 86814470

IUPACtert-butyl (2R)-2-[1-(3-morpholin-4-ylsulfonylphenyl)ethylamino]propanoate
SMILESCC(N[C@H](C)C(=O)OC(C)(C)C)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H30N2O5S/c1-14(20-15(2)18(22)26-19(3,4)5)16-7-6-8-17(13-16)27(23,24)21-9-11-25-12-10-21/h6-8,13-15,20H,9-12H2,1-5H3/t14?,15-/m1/s1
InChIKeyPUCJBZAUIZAFPX-YSSOQSIOSA-N
MW398.53 g/mol
LogP2.09
Rot. Bonds6

About tert-butyl (2R)-2-[1-(3-morpholin-4-ylsulfonylphenyl)ethylamino]propanoate

tert-butyl (2R)-2-[1-(3-morpholin-4-ylsulfonylphenyl)ethylamino]propanoate (PubChem CID 86814470) has the molecular formula C19H30N2O5S and a molecular weight of 398.53 g/mol. Its IUPAC name is tert-butyl (2R)-2-[1-(3-morpholin-4-ylsulfonylphenyl)ethylamino]propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[1-(3-morpholin-4-ylsulfonylphenyl)ethylamino]propanoate
PubChem CID86814470
Molecular FormulaC19H30N2O5S
Molecular Weight398.53 g/mol
Exact Mass398.19
IUPAC Nametert-butyl (2R)-2-[1-(3-morpholin-4-ylsulfonylphenyl)ethylamino]propanoate
SMILESCC(N[C@H](C)C(=O)OC(C)(C)C)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H30N2O5S/c1-14(20-15(2)18(22)26-19(3,4)5)16-7-6-8-17(13-16)27(23,24)21-9-11-25-12-10-21/h6-8,13-15,20H,9-12H2,1-5H3/t14?,15-/m1/s1
InChIKeyPUCJBZAUIZAFPX-YSSOQSIOSA-N
XLogP2.09
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2R)-2-[1-(3-morpholin-4-ylsulfonylphenyl)ethylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 4541490
tert-butyl N-[1-(3-morpholin-4-ylsulfonylphenyl)sulfonylpiperidin-4-yl]carbamate
CID 45106440
tert-butyl 2-[[(1S)-1-(3-bromophenyl)ethyl]amino]propanoate
CID 81375746
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7944643
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7944640
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 119262356
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7733419
4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine
CID 2054799
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
3-morpholin-4-ylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 27886460
N-ethyl-1-(3-morpholin-4-ylsulfonylphenyl)propan-1-amine
CID 60872840
N-[(1S)-1-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 9481709

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[1-(3-morpholin-4-ylsulfonylphenyl)ethylamino]propanoate?
The IUPAC name of tert-butyl (2R)-2-[1-(3-morpholin-4-ylsulfonylphenyl)ethylamino]propanoate (CID 86814470) is tert-butyl (2R)-2-[1-(3-morpholin-4-ylsulfonylphenyl)ethylamino]propanoate.
What is the SMILES notation for tert-butyl (2R)-2-[1-(3-morpholin-4-ylsulfonylphenyl)ethylamino]propanoate?
The canonical SMILES for tert-butyl (2R)-2-[1-(3-morpholin-4-ylsulfonylphenyl)ethylamino]propanoate is CC(N[C@H](C)C(=O)OC(C)(C)C)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of tert-butyl (2R)-2-[1-(3-morpholin-4-ylsulfonylphenyl)ethylamino]propanoate?
The InChIKey is PUCJBZAUIZAFPX-YSSOQSIOSA-N. The full InChI is InChI=1S/C19H30N2O5S/c1-14(20-15(2)18(22)26-19(3,4)5)16-7-6-8-17(13-16)27(23,24)21-9-11-25-12-10-21/h6-8,13-15,20H,9-12H2,1-5H3/t14?,15-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[1-(3-morpholin-4-ylsulfonylphenyl)ethylamino]propanoate?
tert-butyl (2R)-2-[1-(3-morpholin-4-ylsulfonylphenyl)ethylamino]propanoate has a molecular weight of 398.53 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[1-(3-morpholin-4-ylsulfonylphenyl)ethylamino]propanoate is sourced from PubChem (CID 86814470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).