(3S)-1-morpholin-4-yl-3-[[(2S)-2-thiophen-3-ylpropyl]amino]butan-1-one

C15H24N2O2S — CID 97323202

IUPAC(3S)-1-morpholin-4-yl-3-[[(2S)-2-thiophen-3-ylpropyl]amino]butan-1-one
SMILESC[C@H](CN[C@@H](C)CC(=O)N1CCOCC1)c1ccsc1
InChIInChI=1S/C15H24N2O2S/c1-12(14-3-8-20-11-14)10-16-13(2)9-15(18)17-4-6-19-7-5-17/h3,8,11-13,16H,4-7,9-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyMWOLYJVBFMQAOE-OLZOCXBDSA-N
MW296.44 g/mol
LogP2.08
Rot. Bonds6

About (3S)-1-morpholin-4-yl-3-[[(2S)-2-thiophen-3-ylpropyl]amino]butan-1-one

(3S)-1-morpholin-4-yl-3-[[(2S)-2-thiophen-3-ylpropyl]amino]butan-1-one (PubChem CID 97323202) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is (3S)-1-morpholin-4-yl-3-[[(2S)-2-thiophen-3-ylpropyl]amino]butan-1-one.

Molecular Properties

Compound Name(3S)-1-morpholin-4-yl-3-[[(2S)-2-thiophen-3-ylpropyl]amino]butan-1-one
PubChem CID97323202
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name(3S)-1-morpholin-4-yl-3-[[(2S)-2-thiophen-3-ylpropyl]amino]butan-1-one
SMILESC[C@H](CN[C@@H](C)CC(=O)N1CCOCC1)c1ccsc1
InChIInChI=1S/C15H24N2O2S/c1-12(14-3-8-20-11-14)10-16-13(2)9-15(18)17-4-6-19-7-5-17/h3,8,11-13,16H,4-7,9-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyMWOLYJVBFMQAOE-OLZOCXBDSA-N
XLogP2.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-morpholin-4-yl-3-[[(2S)-2-thiophen-3-ylpropyl]amino]butan-1-one with MolForge

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Related Compounds

3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-1-morpholin-4-ylbutan-1-one
CID 110901323
(3R)-3-[[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylbutan-1-one
CID 9453394
N-(1-thiophen-3-ylpropan-2-yl)morpholine-4-carboxamide
CID 115589977
2-methyl-2-morpholin-4-yl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62091009
2-methyl-1-(2-morpholin-4-ylsulfonylethyl)-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111704506
N-(3-methylbutyl)-N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)oxamide
CID 16932439
N-(2-morpholin-4-yl-2-oxoethyl)-3-thiophen-3-ylpropanamide
CID 84596800
1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-thiophen-3-ylpropan-1-one
CID 71927855
formaldehyde;3-methyl-1-morpholin-4-ylbutan-1-one
CID 143869951
N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)cyclopropanecarboxamide
CID 16931690
1-[(1-hydroxycyclopentyl)methyl]-3-(2-thiophen-3-ylpropyl)urea
CID 111509669
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81348384

Frequently Asked Questions

What is the IUPAC name of (3S)-1-morpholin-4-yl-3-[[(2S)-2-thiophen-3-ylpropyl]amino]butan-1-one?
The IUPAC name of (3S)-1-morpholin-4-yl-3-[[(2S)-2-thiophen-3-ylpropyl]amino]butan-1-one (CID 97323202) is (3S)-1-morpholin-4-yl-3-[[(2S)-2-thiophen-3-ylpropyl]amino]butan-1-one.
What is the SMILES notation for (3S)-1-morpholin-4-yl-3-[[(2S)-2-thiophen-3-ylpropyl]amino]butan-1-one?
The canonical SMILES for (3S)-1-morpholin-4-yl-3-[[(2S)-2-thiophen-3-ylpropyl]amino]butan-1-one is C[C@H](CN[C@@H](C)CC(=O)N1CCOCC1)c1ccsc1.
What is the InChIKey of (3S)-1-morpholin-4-yl-3-[[(2S)-2-thiophen-3-ylpropyl]amino]butan-1-one?
The InChIKey is MWOLYJVBFMQAOE-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12(14-3-8-20-11-14)10-16-13(2)9-15(18)17-4-6-19-7-5-17/h3,8,11-13,16H,4-7,9-10H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (3S)-1-morpholin-4-yl-3-[[(2S)-2-thiophen-3-ylpropyl]amino]butan-1-one?
(3S)-1-morpholin-4-yl-3-[[(2S)-2-thiophen-3-ylpropyl]amino]butan-1-one has a molecular weight of 296.44 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-morpholin-4-yl-3-[[(2S)-2-thiophen-3-ylpropyl]amino]butan-1-one is sourced from PubChem (CID 97323202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).