tert-butyl 3-[2-(1-thiophen-3-ylpropan-2-ylamino)propyl]morpholine-4-carboxylate

C19H32N2O3S — CID 113461919

IUPACtert-butyl 3-[2-(1-thiophen-3-ylpropan-2-ylamino)propyl]morpholine-4-carboxylate
SMILESCC(Cc1ccsc1)NC(C)CC1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H32N2O3S/c1-14(10-16-6-9-25-13-16)20-15(2)11-17-12-23-8-7-21(17)18(22)24-19(3,4)5/h6,9,13-15,17,20H,7-8,10-12H2,1-5H3
InChIKeyMYSXABQLWSIURW-UHFFFAOYSA-N
MW368.54 g/mol
LogP3.68
Rot. Bonds6

About tert-butyl 3-[2-(1-thiophen-3-ylpropan-2-ylamino)propyl]morpholine-4-carboxylate

tert-butyl 3-[2-(1-thiophen-3-ylpropan-2-ylamino)propyl]morpholine-4-carboxylate (PubChem CID 113461919) has the molecular formula C19H32N2O3S and a molecular weight of 368.54 g/mol. Its IUPAC name is tert-butyl 3-[2-(1-thiophen-3-ylpropan-2-ylamino)propyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(1-thiophen-3-ylpropan-2-ylamino)propyl]morpholine-4-carboxylate
PubChem CID113461919
Molecular FormulaC19H32N2O3S
Molecular Weight368.54 g/mol
Exact Mass368.21
IUPAC Nametert-butyl 3-[2-(1-thiophen-3-ylpropan-2-ylamino)propyl]morpholine-4-carboxylate
SMILESCC(Cc1ccsc1)NC(C)CC1COCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H32N2O3S/c1-14(10-16-6-9-25-13-16)20-15(2)11-17-12-23-8-7-21(17)18(22)24-19(3,4)5/h6,9,13-15,17,20H,7-8,10-12H2,1-5H3
InChIKeyMYSXABQLWSIURW-UHFFFAOYSA-N
XLogP3.68
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propan-2-ylamino]propanoic acid
CID 104855281
tert-butyl 3-[2-(hexan-3-ylamino)propyl]morpholine-4-carboxylate
CID 104855288
tert-butyl 3-[2-(1-hydroxypentan-3-ylamino)propyl]morpholine-4-carboxylate
CID 104864436
tert-butyl 3-[2-[(2-hydroxy-2-methylpropyl)amino]propyl]morpholine-4-carboxylate
CID 104855310
tert-butyl 2-[2-(thiophen-3-ylmethylamino)propyl]piperidine-1-carboxylate
CID 103723994
tert-butyl 3-[2-(2,3-dimethylanilino)propyl]morpholine-4-carboxylate
CID 113461855
tert-butyl 3-[2-[2-(5-chlorothiophen-2-yl)ethylamino]propyl]morpholine-4-carboxylate
CID 113477378
tert-butyl 3-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]morpholine-4-carboxylate
CID 104855368
tert-butyl 3-[2-[(3-hydroxy-2-methylpropyl)amino]propyl]morpholine-4-carboxylate
CID 104855309
tert-butyl 3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propyl]morpholine-4-carboxylate
CID 107648449
tert-butyl 3-[2-[(1-methylcyclopropyl)methylamino]propyl]morpholine-4-carboxylate
CID 104871875
tert-butyl 3-[2-(2-carbamoyloxyethylamino)propyl]morpholine-4-carboxylate
CID 104855381

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(1-thiophen-3-ylpropan-2-ylamino)propyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[2-(1-thiophen-3-ylpropan-2-ylamino)propyl]morpholine-4-carboxylate (CID 113461919) is tert-butyl 3-[2-(1-thiophen-3-ylpropan-2-ylamino)propyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(1-thiophen-3-ylpropan-2-ylamino)propyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(1-thiophen-3-ylpropan-2-ylamino)propyl]morpholine-4-carboxylate is CC(Cc1ccsc1)NC(C)CC1COCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[2-(1-thiophen-3-ylpropan-2-ylamino)propyl]morpholine-4-carboxylate?
The InChIKey is MYSXABQLWSIURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3S/c1-14(10-16-6-9-25-13-16)20-15(2)11-17-12-23-8-7-21(17)18(22)24-19(3,4)5/h6,9,13-15,17,20H,7-8,10-12H2,1-5H3.
What are the key properties of tert-butyl 3-[2-(1-thiophen-3-ylpropan-2-ylamino)propyl]morpholine-4-carboxylate?
tert-butyl 3-[2-(1-thiophen-3-ylpropan-2-ylamino)propyl]morpholine-4-carboxylate has a molecular weight of 368.54 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(1-thiophen-3-ylpropan-2-ylamino)propyl]morpholine-4-carboxylate is sourced from PubChem (CID 113461919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).