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

C16H22N4O5S — CID 97137628

IUPAC5-[[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]sulfonyl]-1H-pyrimidine-2,4-dione
SMILESO=C1N(CC2CC2)CCC[C@@]12CCN(S(=O)(=O)c1c[nH]c(=O)[nH]c1=O)C2
InChIInChI=1S/C16H22N4O5S/c21-13-12(8-17-15(23)18-13)26(24,25)20-7-5-16(10-20)4-1-6-19(14(16)22)9-11-2-3-11/h8,11H,1-7,9-10H2,(H2,17,18,21,23)/t16-/m0/s1
InChIKeyMZWGZGWFMHDBOD-INIZCTEOSA-N
MW382.44 g/mol
LogP-0.52
Rot. Bonds4

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

5-[[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]sulfonyl]-1H-pyrimidine-2,4-dione (PubChem CID 97137628) has the molecular formula C16H22N4O5S and a molecular weight of 382.44 g/mol. Its IUPAC name is 5-[[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]sulfonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]sulfonyl]-1H-pyrimidine-2,4-dione
PubChem CID97137628
Molecular FormulaC16H22N4O5S
Molecular Weight382.44 g/mol
Exact Mass382.13
IUPAC Name5-[[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]sulfonyl]-1H-pyrimidine-2,4-dione
SMILESO=C1N(CC2CC2)CCC[C@@]12CCN(S(=O)(=O)c1c[nH]c(=O)[nH]c1=O)C2
InChIInChI=1S/C16H22N4O5S/c21-13-12(8-17-15(23)18-13)26(24,25)20-7-5-16(10-20)4-1-6-19(14(16)22)9-11-2-3-11/h8,11H,1-7,9-10H2,(H2,17,18,21,23)/t16-/m0/s1
InChIKeyMZWGZGWFMHDBOD-INIZCTEOSA-N
XLogP-0.52
TPSA123.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]sulfonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]sulfonyl]-1H-pyrimidine-2,4-dione (CID 97137628) is 5-[[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]sulfonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]sulfonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]sulfonyl]-1H-pyrimidine-2,4-dione is O=C1N(CC2CC2)CCC[C@@]12CCN(S(=O)(=O)c1c[nH]c(=O)[nH]c1=O)C2.
What is the InChIKey of 5-[[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]sulfonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is MZWGZGWFMHDBOD-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22N4O5S/c21-13-12(8-17-15(23)18-13)26(24,25)20-7-5-16(10-20)4-1-6-19(14(16)22)9-11-2-3-11/h8,11H,1-7,9-10H2,(H2,17,18,21,23)/t16-/m0/s1.
What are the key properties of 5-[[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]sulfonyl]-1H-pyrimidine-2,4-dione?
5-[[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]sulfonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 382.44 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]sulfonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 97137628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).