5-[(3R)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione

C16H24N4O5S — CID 97283737

IUPAC5-[(3R)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
SMILESO=C(CC[C@H]1CCCN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)C1)N1CCCC1
InChIInChI=1S/C16H24N4O5S/c21-14(19-7-1-2-8-19)6-5-12-4-3-9-20(11-12)26(24,25)13-10-17-16(23)18-15(13)22/h10,12H,1-9,11H2,(H2,17,18,22,23)/t12-/m1/s1
InChIKeyNSUJSOIJHVPDBX-GFCCVEGCSA-N
MW384.46 g/mol
LogP-0.13
Rot. Bonds5

About 5-[(3R)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione

5-[(3R)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione (PubChem CID 97283737) has the molecular formula C16H24N4O5S and a molecular weight of 384.46 g/mol. Its IUPAC name is 5-[(3R)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3R)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
PubChem CID97283737
Molecular FormulaC16H24N4O5S
Molecular Weight384.46 g/mol
Exact Mass384.15
IUPAC Name5-[(3R)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione
SMILESO=C(CC[C@H]1CCCN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)C1)N1CCCC1
InChIInChI=1S/C16H24N4O5S/c21-14(19-7-1-2-8-19)6-5-12-4-3-9-20(11-12)26(24,25)13-10-17-16(23)18-15(13)22/h10,12H,1-9,11H2,(H2,17,18,22,23)/t12-/m1/s1
InChIKeyNSUJSOIJHVPDBX-GFCCVEGCSA-N
XLogP-0.13
TPSA123.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(3R)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione (CID 97283737) is 5-[(3R)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3R)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(3R)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione is O=C(CC[C@H]1CCCN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)C1)N1CCCC1.
What is the InChIKey of 5-[(3R)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione?
The InChIKey is NSUJSOIJHVPDBX-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N4O5S/c21-14(19-7-1-2-8-19)6-5-12-4-3-9-20(11-12)26(24,25)13-10-17-16(23)18-15(13)22/h10,12H,1-9,11H2,(H2,17,18,22,23)/t12-/m1/s1.
What are the key properties of 5-[(3R)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione?
5-[(3R)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione has a molecular weight of 384.46 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]sulfonyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 97283737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).