5-[[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]sulfonyl]-1H-pyrimidine-2,4-dione

C15H22N4O5S — CID 97115581

IUPAC5-[[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]sulfonyl]-1H-pyrimidine-2,4-dione
SMILESCC(C)N1CCC[C@@]2(CCN(S(=O)(=O)c3c[nH]c(=O)[nH]c3=O)C2)C1=O
InChIInChI=1S/C15H22N4O5S/c1-10(2)19-6-3-4-15(13(19)21)5-7-18(9-15)25(23,24)11-8-16-14(22)17-12(11)20/h8,10H,3-7,9H2,1-2H3,(H2,16,17,20,22)/t15-/m0/s1
InChIKeyVDTABKCZDMLSQS-HNNXBMFYSA-N
MW370.43 g/mol
LogP-0.53
Rot. Bonds3

About 5-[[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]sulfonyl]-1H-pyrimidine-2,4-dione

5-[[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]sulfonyl]-1H-pyrimidine-2,4-dione (PubChem CID 97115581) has the molecular formula C15H22N4O5S and a molecular weight of 370.43 g/mol. Its IUPAC name is 5-[[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]sulfonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]sulfonyl]-1H-pyrimidine-2,4-dione
PubChem CID97115581
Molecular FormulaC15H22N4O5S
Molecular Weight370.43 g/mol
Exact Mass370.13
IUPAC Name5-[[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]sulfonyl]-1H-pyrimidine-2,4-dione
SMILESCC(C)N1CCC[C@@]2(CCN(S(=O)(=O)c3c[nH]c(=O)[nH]c3=O)C2)C1=O
InChIInChI=1S/C15H22N4O5S/c1-10(2)19-6-3-4-15(13(19)21)5-7-18(9-15)25(23,24)11-8-16-14(22)17-12(11)20/h8,10H,3-7,9H2,1-2H3,(H2,16,17,20,22)/t15-/m0/s1
InChIKeyVDTABKCZDMLSQS-HNNXBMFYSA-N
XLogP-0.53
TPSA123.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]sulfonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]sulfonyl]-1H-pyrimidine-2,4-dione (CID 97115581) is 5-[[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]sulfonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]sulfonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]sulfonyl]-1H-pyrimidine-2,4-dione is CC(C)N1CCC[C@@]2(CCN(S(=O)(=O)c3c[nH]c(=O)[nH]c3=O)C2)C1=O.
What is the InChIKey of 5-[[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]sulfonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is VDTABKCZDMLSQS-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22N4O5S/c1-10(2)19-6-3-4-15(13(19)21)5-7-18(9-15)25(23,24)11-8-16-14(22)17-12(11)20/h8,10H,3-7,9H2,1-2H3,(H2,16,17,20,22)/t15-/m0/s1.
What are the key properties of 5-[[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]sulfonyl]-1H-pyrimidine-2,4-dione?
5-[[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]sulfonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 370.43 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]sulfonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 97115581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).