6-oxo-4-[4-(sulfamoylamino)piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidine

C11H16N6O3S — CID 178174084

IUPAC6-oxo-4-[4-(sulfamoylamino)piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidine
SMILESNS(=O)(=O)NC1CCN(c2ncnc3c2CC(=O)N3)CC1
InChIInChI=1S/C11H16N6O3S/c12-21(19,20)16-7-1-3-17(4-2-7)11-8-5-9(18)15-10(8)13-6-14-11/h6-7,16H,1-5H2,(H2,12,19,20)(H,13,14,15,18)
InChIKeyGXUSJGGVOKNJNG-UHFFFAOYSA-N
MW312.36 g/mol
LogP-1.27
Rot. Bonds3

About 6-oxo-4-[4-(sulfamoylamino)piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidine

6-oxo-4-[4-(sulfamoylamino)piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidine (PubChem CID 178174084) has the molecular formula C11H16N6O3S and a molecular weight of 312.36 g/mol. Its IUPAC name is 6-oxo-4-[4-(sulfamoylamino)piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-oxo-4-[4-(sulfamoylamino)piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidine
PubChem CID178174084
Molecular FormulaC11H16N6O3S
Molecular Weight312.36 g/mol
Exact Mass312.10
IUPAC Name6-oxo-4-[4-(sulfamoylamino)piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidine
SMILESNS(=O)(=O)NC1CCN(c2ncnc3c2CC(=O)N3)CC1
InChIInChI=1S/C11H16N6O3S/c12-21(19,20)16-7-1-3-17(4-2-7)11-8-5-9(18)15-10(8)13-6-14-11/h6-7,16H,1-5H2,(H2,12,19,20)(H,13,14,15,18)
InChIKeyGXUSJGGVOKNJNG-UHFFFAOYSA-N
XLogP-1.27
TPSA130.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

7-Cyclopentyl-5,5-dimethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrrolo[2,3-d]pyrimidin-6-one
CID 168286146
4-Amino-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 20111771
3-((3R,4R)-3-((6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)(methyl)amino)-4-methylpiperidin-1-yl)-3-oxopropanenitrile
CID 67965295
Tofacitinib metabolite-1
CID 67965296
4-(3,3,3-Trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 141366504
6-Oxo-4-[4-[(sulfamoylamino)methyl]-4-(trifluoromethyl)piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidine;hydrochloride
CID 178174057
6-Oxo-4-[4-[(sulfamoylamino)methyl]-4-(trifluoromethyl)piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidine
CID 178174058
4-[4-Fluoro-4-[(sulfamoylamino)methyl]piperidin-1-yl]-6-oxo-5,7-dihydropyrrolo[2,3-d]pyrimidine
CID 178174066
Ethyl 4-(6-oxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 49878393
4-(4-Methylsulfonylpiperazin-1-yl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 53298850
7-ethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 13784150
2-piperazin-1-yl-7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 13784161

Frequently Asked Questions

What is the IUPAC name of 6-oxo-4-[4-(sulfamoylamino)piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidine?
The IUPAC name of 6-oxo-4-[4-(sulfamoylamino)piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidine (CID 178174084) is 6-oxo-4-[4-(sulfamoylamino)piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 6-oxo-4-[4-(sulfamoylamino)piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 6-oxo-4-[4-(sulfamoylamino)piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidine is NS(=O)(=O)NC1CCN(c2ncnc3c2CC(=O)N3)CC1.
What is the InChIKey of 6-oxo-4-[4-(sulfamoylamino)piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidine?
The InChIKey is GXUSJGGVOKNJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O3S/c12-21(19,20)16-7-1-3-17(4-2-7)11-8-5-9(18)15-10(8)13-6-14-11/h6-7,16H,1-5H2,(H2,12,19,20)(H,13,14,15,18).
What are the key properties of 6-oxo-4-[4-(sulfamoylamino)piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidine?
6-oxo-4-[4-(sulfamoylamino)piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidine has a molecular weight of 312.36 g/mol, XLogP of -1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-4-[4-(sulfamoylamino)piperidin-1-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 178174084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).