(2S)-2-amino-3-hydroxy-1-[(3R)-3-(morpholine-4-carbonyl)-1-thia-4,9-diazaspiro[4.5]decan-9-yl]propan-1-one

C15H26N4O4S — CID 169318444

IUPAC(2S)-2-amino-3-hydroxy-1-[(3R)-3-(morpholine-4-carbonyl)-1-thia-4,9-diazaspiro[4.5]decan-9-yl]propan-1-one
SMILESN[C@@H](CO)C(=O)N1CCCC2(C1)N[C@H](C(=O)N1CCOCC1)CS2
InChIInChI=1S/C15H26N4O4S/c16-11(8-20)13(21)19-3-1-2-15(10-19)17-12(9-24-15)14(22)18-4-6-23-7-5-18/h11-12,17,20H,1-10,16H2/t11-,12-,15?/m0/s1
InChIKeyUNINDVMTQGEMFS-GYZKLXCISA-N
MW358.46 g/mol
LogP-1.81
Rot. Bonds3

About (2S)-2-amino-3-hydroxy-1-[(3R)-3-(morpholine-4-carbonyl)-1-thia-4,9-diazaspiro[4.5]decan-9-yl]propan-1-one

(2S)-2-amino-3-hydroxy-1-[(3R)-3-(morpholine-4-carbonyl)-1-thia-4,9-diazaspiro[4.5]decan-9-yl]propan-1-one (PubChem CID 169318444) has the molecular formula C15H26N4O4S and a molecular weight of 358.46 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxy-1-[(3R)-3-(morpholine-4-carbonyl)-1-thia-4,9-diazaspiro[4.5]decan-9-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxy-1-[(3R)-3-(morpholine-4-carbonyl)-1-thia-4,9-diazaspiro[4.5]decan-9-yl]propan-1-one
PubChem CID169318444
Molecular FormulaC15H26N4O4S
Molecular Weight358.46 g/mol
Exact Mass358.17
IUPAC Name(2S)-2-amino-3-hydroxy-1-[(3R)-3-(morpholine-4-carbonyl)-1-thia-4,9-diazaspiro[4.5]decan-9-yl]propan-1-one
SMILESN[C@@H](CO)C(=O)N1CCCC2(C1)N[C@H](C(=O)N1CCOCC1)CS2
InChIInChI=1S/C15H26N4O4S/c16-11(8-20)13(21)19-3-1-2-15(10-19)17-12(9-24-15)14(22)18-4-6-23-7-5-18/h11-12,17,20H,1-10,16H2/t11-,12-,15?/m0/s1
InChIKeyUNINDVMTQGEMFS-GYZKLXCISA-N
XLogP-1.81
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxy-1-[(3R)-3-(morpholine-4-carbonyl)-1-thia-4,9-diazaspiro[4.5]decan-9-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-3-hydroxy-1-[(3R)-3-(morpholine-4-carbonyl)-1-thia-4,9-diazaspiro[4.5]decan-9-yl]propan-1-one (CID 169318444) is (2S)-2-amino-3-hydroxy-1-[(3R)-3-(morpholine-4-carbonyl)-1-thia-4,9-diazaspiro[4.5]decan-9-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-3-hydroxy-1-[(3R)-3-(morpholine-4-carbonyl)-1-thia-4,9-diazaspiro[4.5]decan-9-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-3-hydroxy-1-[(3R)-3-(morpholine-4-carbonyl)-1-thia-4,9-diazaspiro[4.5]decan-9-yl]propan-1-one is N[C@@H](CO)C(=O)N1CCCC2(C1)N[C@H](C(=O)N1CCOCC1)CS2.
What is the InChIKey of (2S)-2-amino-3-hydroxy-1-[(3R)-3-(morpholine-4-carbonyl)-1-thia-4,9-diazaspiro[4.5]decan-9-yl]propan-1-one?
The InChIKey is UNINDVMTQGEMFS-GYZKLXCISA-N. The full InChI is InChI=1S/C15H26N4O4S/c16-11(8-20)13(21)19-3-1-2-15(10-19)17-12(9-24-15)14(22)18-4-6-23-7-5-18/h11-12,17,20H,1-10,16H2/t11-,12-,15?/m0/s1.
What are the key properties of (2S)-2-amino-3-hydroxy-1-[(3R)-3-(morpholine-4-carbonyl)-1-thia-4,9-diazaspiro[4.5]decan-9-yl]propan-1-one?
(2S)-2-amino-3-hydroxy-1-[(3R)-3-(morpholine-4-carbonyl)-1-thia-4,9-diazaspiro[4.5]decan-9-yl]propan-1-one has a molecular weight of 358.46 g/mol, XLogP of -1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxy-1-[(3R)-3-(morpholine-4-carbonyl)-1-thia-4,9-diazaspiro[4.5]decan-9-yl]propan-1-one is sourced from PubChem (CID 169318444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).