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

C10H15N3O5S — CID 79031036

IUPAC5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(S(=O)(=O)N2CC[C@H](O)C2)c(=O)n(C)c1=O
InChIInChI=1S/C10H15N3O5S/c1-11-6-8(9(15)12(2)10(11)16)19(17,18)13-4-3-7(14)5-13/h6-7,14H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyQDPMHWPZNLXDFE-ZETCQYMHSA-N
MW289.31 g/mol
LogP-2.16
Rot. Bonds2

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

5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 79031036) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
PubChem CID79031036
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Name5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(S(=O)(=O)N2CC[C@H](O)C2)c(=O)n(C)c1=O
InChIInChI=1S/C10H15N3O5S/c1-11-6-8(9(15)12(2)10(11)16)19(17,18)13-4-3-7(14)5-13/h6-7,14H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyQDPMHWPZNLXDFE-ZETCQYMHSA-N
XLogP-2.16
TPSA101.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-2.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dimethyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrimidine-2,4-dione
CID 7196398
5-(3-aminoazetidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 63765075
2-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylazetidin-3-yl]acetic acid
CID 64618231
ethyl (3R)-1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylpiperidine-3-carboxylate
CID 7196384
1,3-dimethyl-5-[3-(methylaminomethyl)piperidin-1-yl]sulfonylpyrimidine-2,4-dione;hydrochloride
CID 119961286
(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 79031477
(3R)-1-(2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291101
5-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 103871485
5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
CID 119987763
5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 43574515
5-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 43063031
(3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol
CID 79031039

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione (CID 79031036) is 5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(S(=O)(=O)N2CC[C@H](O)C2)c(=O)n(C)c1=O.
What is the InChIKey of 5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is QDPMHWPZNLXDFE-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15N3O5S/c1-11-6-8(9(15)12(2)10(11)16)19(17,18)13-4-3-7(14)5-13/h6-7,14H,3-5H2,1-2H3/t7-/m0/s1.
What are the key properties of 5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 289.31 g/mol, XLogP of -2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 79031036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).