5-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-1H-pyrimidine-2,4-dione

C16H24N4O5S — CID 72940345

IUPAC5-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-1H-pyrimidine-2,4-dione
SMILESCC(C)CN1CC2(CCN(S(=O)(=O)c3c[nH]c(=O)[nH]c3=O)CC2)CC1=O
InChIInChI=1S/C16H24N4O5S/c1-11(2)9-19-10-16(7-13(19)21)3-5-20(6-4-16)26(24,25)12-8-17-15(23)18-14(12)22/h8,11H,3-7,9-10H2,1-2H3,(H2,17,18,22,23)
InChIKeyKFDIQGQFEROTDP-UHFFFAOYSA-N
MW384.46 g/mol
LogP-0.28
Rot. Bonds4

About 5-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-1H-pyrimidine-2,4-dione

5-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-1H-pyrimidine-2,4-dione (PubChem CID 72940345) has the molecular formula C16H24N4O5S and a molecular weight of 384.46 g/mol. Its IUPAC name is 5-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-1H-pyrimidine-2,4-dione
PubChem CID72940345
Molecular FormulaC16H24N4O5S
Molecular Weight384.46 g/mol
Exact Mass384.15
IUPAC Name5-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-1H-pyrimidine-2,4-dione
SMILESCC(C)CN1CC2(CCN(S(=O)(=O)c3c[nH]c(=O)[nH]c3=O)CC2)CC1=O
InChIInChI=1S/C16H24N4O5S/c1-11(2)9-19-10-16(7-13(19)21)3-5-20(6-4-16)26(24,25)12-8-17-15(23)18-14(12)22/h8,11H,3-7,9-10H2,1-2H3,(H2,17,18,22,23)
InChIKeyKFDIQGQFEROTDP-UHFFFAOYSA-N
XLogP-0.28
TPSA123.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-1H-pyrimidine-2,4-dione (CID 72940345) is 5-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-1H-pyrimidine-2,4-dione is CC(C)CN1CC2(CCN(S(=O)(=O)c3c[nH]c(=O)[nH]c3=O)CC2)CC1=O.
What is the InChIKey of 5-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is KFDIQGQFEROTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O5S/c1-11(2)9-19-10-16(7-13(19)21)3-5-20(6-4-16)26(24,25)12-8-17-15(23)18-14(12)22/h8,11H,3-7,9-10H2,1-2H3,(H2,17,18,22,23).
What are the key properties of 5-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-1H-pyrimidine-2,4-dione?
5-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 384.46 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 72940345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).