(2S)-2-amino-3-methyl-1-[(7R)-7-(morpholine-4-carbonyl)-5-thia-2,8-diazaspiro[3.4]octan-2-yl]butan-1-one

C15H26N4O3S — CID 169318584

IUPAC(2S)-2-amino-3-methyl-1-[(7R)-7-(morpholine-4-carbonyl)-5-thia-2,8-diazaspiro[3.4]octan-2-yl]butan-1-one
SMILESCC(C)[C@H](N)C(=O)N1CC2(C1)N[C@H](C(=O)N1CCOCC1)CS2
InChIInChI=1S/C15H26N4O3S/c1-10(2)12(16)14(21)19-8-15(9-19)17-11(7-23-15)13(20)18-3-5-22-6-4-18/h10-12,17H,3-9,16H2,1-2H3/t11-,12-/m0/s1
InChIKeyUARVDYFXWZAFFW-RYUDHWBXSA-N
MW342.47 g/mol
LogP-0.93
Rot. Bonds3

About (2S)-2-amino-3-methyl-1-[(7R)-7-(morpholine-4-carbonyl)-5-thia-2,8-diazaspiro[3.4]octan-2-yl]butan-1-one

(2S)-2-amino-3-methyl-1-[(7R)-7-(morpholine-4-carbonyl)-5-thia-2,8-diazaspiro[3.4]octan-2-yl]butan-1-one (PubChem CID 169318584) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-1-[(7R)-7-(morpholine-4-carbonyl)-5-thia-2,8-diazaspiro[3.4]octan-2-yl]butan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-1-[(7R)-7-(morpholine-4-carbonyl)-5-thia-2,8-diazaspiro[3.4]octan-2-yl]butan-1-one
PubChem CID169318584
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Name(2S)-2-amino-3-methyl-1-[(7R)-7-(morpholine-4-carbonyl)-5-thia-2,8-diazaspiro[3.4]octan-2-yl]butan-1-one
SMILESCC(C)[C@H](N)C(=O)N1CC2(C1)N[C@H](C(=O)N1CCOCC1)CS2
InChIInChI=1S/C15H26N4O3S/c1-10(2)12(16)14(21)19-8-15(9-19)17-11(7-23-15)13(20)18-3-5-22-6-4-18/h10-12,17H,3-9,16H2,1-2H3/t11-,12-/m0/s1
InChIKeyUARVDYFXWZAFFW-RYUDHWBXSA-N
XLogP-0.93
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-1-[(7R)-7-(morpholine-4-carbonyl)-5-thia-2,8-diazaspiro[3.4]octan-2-yl]butan-1-one?
The IUPAC name of (2S)-2-amino-3-methyl-1-[(7R)-7-(morpholine-4-carbonyl)-5-thia-2,8-diazaspiro[3.4]octan-2-yl]butan-1-one (CID 169318584) is (2S)-2-amino-3-methyl-1-[(7R)-7-(morpholine-4-carbonyl)-5-thia-2,8-diazaspiro[3.4]octan-2-yl]butan-1-one.
What is the SMILES notation for (2S)-2-amino-3-methyl-1-[(7R)-7-(morpholine-4-carbonyl)-5-thia-2,8-diazaspiro[3.4]octan-2-yl]butan-1-one?
The canonical SMILES for (2S)-2-amino-3-methyl-1-[(7R)-7-(morpholine-4-carbonyl)-5-thia-2,8-diazaspiro[3.4]octan-2-yl]butan-1-one is CC(C)[C@H](N)C(=O)N1CC2(C1)N[C@H](C(=O)N1CCOCC1)CS2.
What is the InChIKey of (2S)-2-amino-3-methyl-1-[(7R)-7-(morpholine-4-carbonyl)-5-thia-2,8-diazaspiro[3.4]octan-2-yl]butan-1-one?
The InChIKey is UARVDYFXWZAFFW-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-10(2)12(16)14(21)19-8-15(9-19)17-11(7-23-15)13(20)18-3-5-22-6-4-18/h10-12,17H,3-9,16H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-1-[(7R)-7-(morpholine-4-carbonyl)-5-thia-2,8-diazaspiro[3.4]octan-2-yl]butan-1-one?
(2S)-2-amino-3-methyl-1-[(7R)-7-(morpholine-4-carbonyl)-5-thia-2,8-diazaspiro[3.4]octan-2-yl]butan-1-one has a molecular weight of 342.47 g/mol, XLogP of -0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-1-[(7R)-7-(morpholine-4-carbonyl)-5-thia-2,8-diazaspiro[3.4]octan-2-yl]butan-1-one is sourced from PubChem (CID 169318584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).