5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione

C13H21N3O4S — CID 7475142

IUPAC5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
SMILESC[C@H]1C[C@H](C)CN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1
InChIInChI=1S/C13H21N3O4S/c1-9-5-10(2)7-16(6-9)21(19,20)11-8-14(3)13(18)15(4)12(11)17/h8-10H,5-7H2,1-4H3/t9-,10-/m0/s1
InChIKeyVIYGWMMMFNJHMP-UWVGGRQHSA-N
MW315.40 g/mol
LogP-0.25
Rot. Bonds2

About 5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione

5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 7475142) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
PubChem CID7475142
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
SMILESC[C@H]1C[C@H](C)CN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1
InChIInChI=1S/C13H21N3O4S/c1-9-5-10(2)7-16(6-9)21(19,20)11-8-14(3)13(18)15(4)12(11)17/h8-10H,5-7H2,1-4H3/t9-,10-/m0/s1
InChIKeyVIYGWMMMFNJHMP-UWVGGRQHSA-N
XLogP-0.25
TPSA81.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione (CID 7475142) is 5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione is C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1.
What is the InChIKey of 5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is VIYGWMMMFNJHMP-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-9-5-10(2)7-16(6-9)21(19,20)11-8-14(3)13(18)15(4)12(11)17/h8-10H,5-7H2,1-4H3/t9-,10-/m0/s1.
What are the key properties of 5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 315.40 g/mol, XLogP of -0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 7475142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).