3-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C19H33N5O5S — CID 51880398

IUPAC3-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@H]1CN(S(=O)(=O)N2CCN(CN3C(=O)NC4(CCCCC4)C3=O)CC2)C[C@H](C)O1
InChIInChI=1S/C19H33N5O5S/c1-15-12-23(13-16(2)29-15)30(27,28)22-10-8-21(9-11-22)14-24-17(25)19(20-18(24)26)6-4-3-5-7-19/h15-16H,3-14H2,1-2H3,(H,20,26)/t15-,16-/m0/s1
InChIKeyGYOYVSJJIJQHJH-HOTGVXAUSA-N
MW443.57 g/mol
LogP0.17
Rot. Bonds4

About 3-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 51880398) has the molecular formula C19H33N5O5S and a molecular weight of 443.57 g/mol. Its IUPAC name is 3-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID51880398
Molecular FormulaC19H33N5O5S
Molecular Weight443.57 g/mol
Exact Mass443.22
IUPAC Name3-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@H]1CN(S(=O)(=O)N2CCN(CN3C(=O)NC4(CCCCC4)C3=O)CC2)C[C@H](C)O1
InChIInChI=1S/C19H33N5O5S/c1-15-12-23(13-16(2)29-15)30(27,28)22-10-8-21(9-11-22)14-24-17(25)19(20-18(24)26)6-4-3-5-7-19/h15-16H,3-14H2,1-2H3,(H,20,26)/t15-,16-/m0/s1
InChIKeyGYOYVSJJIJQHJH-HOTGVXAUSA-N
XLogP0.17
TPSA102.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24605316
3-[(2-methylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 17454172
3-[(4-ethylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18081564
3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 26941258
8-tert-butyl-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18125988
3-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2549443
8-methyl-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2120863
8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 94783768
8-(2,6-dimethylmorpholin-4-yl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47027405
(5S,6S)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 31055657
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 35414438
8-methyl-3-(piperidin-1-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 9242043

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 51880398) is 3-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is C[C@H]1CN(S(=O)(=O)N2CCN(CN3C(=O)NC4(CCCCC4)C3=O)CC2)C[C@H](C)O1.
What is the InChIKey of 3-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is GYOYVSJJIJQHJH-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H33N5O5S/c1-15-12-23(13-16(2)29-15)30(27,28)22-10-8-21(9-11-22)14-24-17(25)19(20-18(24)26)6-4-3-5-7-19/h15-16H,3-14H2,1-2H3,(H,20,26)/t15-,16-/m0/s1.
What are the key properties of 3-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 443.57 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 51880398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).