7-(1-ethylsulfonylpiperidin-3-yl)-2-methylpyrrolo[2,3-d]pyrimidine

C14H20N4O2S — CID 173164092

IUPAC7-(1-ethylsulfonylpiperidin-3-yl)-2-methylpyrrolo[2,3-d]pyrimidine
SMILESCCS(=O)(=O)N1CCCC(n2ccc3cnc(C)nc32)C1
InChIInChI=1S/C14H20N4O2S/c1-3-21(19,20)17-7-4-5-13(10-17)18-8-6-12-9-15-11(2)16-14(12)18/h6,8-9,13H,3-5,7,10H2,1-2H3
InChIKeyLNDVDVDOAWISRN-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.73
Rot. Bonds3

About 7-(1-ethylsulfonylpiperidin-3-yl)-2-methylpyrrolo[2,3-d]pyrimidine

7-(1-ethylsulfonylpiperidin-3-yl)-2-methylpyrrolo[2,3-d]pyrimidine (PubChem CID 173164092) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 7-(1-ethylsulfonylpiperidin-3-yl)-2-methylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-(1-ethylsulfonylpiperidin-3-yl)-2-methylpyrrolo[2,3-d]pyrimidine
PubChem CID173164092
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name7-(1-ethylsulfonylpiperidin-3-yl)-2-methylpyrrolo[2,3-d]pyrimidine
SMILESCCS(=O)(=O)N1CCCC(n2ccc3cnc(C)nc32)C1
InChIInChI=1S/C14H20N4O2S/c1-3-21(19,20)17-7-4-5-13(10-17)18-8-6-12-9-15-11(2)16-14(12)18/h6,8-9,13H,3-5,7,10H2,1-2H3
InChIKeyLNDVDVDOAWISRN-UHFFFAOYSA-N
XLogP1.73
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine
CID 94476004
5-[[(3S)-1-ethylsulfonylpiperidin-3-yl]methyl]-2-methylpyridine
CID 124942398
(3S)-3-(2-ethylimidazol-1-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine
CID 124830392
7-(3-fluoro-1-methylazepan-4-yl)-N-[(3R,4R)-3-fluoro-1-methylsulfonylpiperidin-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 178081158
4-(1-ethylsulfonylpiperidin-3-yl)pyrimidin-2-amine
CID 110250142
7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 58015759
2-[(1-ethylsulfonylpiperidin-3-yl)methyl]-6-methylpyridine
CID 175652389
9-ethyl-6-[(3S)-1-ethylsulfonylpiperidin-3-yl]oxy-8-(2-methylpyrimidin-5-yl)purine
CID 144626802
6-methyl-1-(1-methylsulfonylpiperidin-3-yl)benzimidazole
CID 122608654
2-[(3S)-1-ethylsulfonylpiperidin-3-yl]-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole
CID 99963998
ethane;2-(2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone
CID 144654976
4-ethylsulfonyl-2-(2-methylpyrimidin-4-yl)morpholine
CID 110269895

Frequently Asked Questions

What is the IUPAC name of 7-(1-ethylsulfonylpiperidin-3-yl)-2-methylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-(1-ethylsulfonylpiperidin-3-yl)-2-methylpyrrolo[2,3-d]pyrimidine (CID 173164092) is 7-(1-ethylsulfonylpiperidin-3-yl)-2-methylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-(1-ethylsulfonylpiperidin-3-yl)-2-methylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-(1-ethylsulfonylpiperidin-3-yl)-2-methylpyrrolo[2,3-d]pyrimidine is CCS(=O)(=O)N1CCCC(n2ccc3cnc(C)nc32)C1.
What is the InChIKey of 7-(1-ethylsulfonylpiperidin-3-yl)-2-methylpyrrolo[2,3-d]pyrimidine?
The InChIKey is LNDVDVDOAWISRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-3-21(19,20)17-7-4-5-13(10-17)18-8-6-12-9-15-11(2)16-14(12)18/h6,8-9,13H,3-5,7,10H2,1-2H3.
What are the key properties of 7-(1-ethylsulfonylpiperidin-3-yl)-2-methylpyrrolo[2,3-d]pyrimidine?
7-(1-ethylsulfonylpiperidin-3-yl)-2-methylpyrrolo[2,3-d]pyrimidine has a molecular weight of 308.41 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethylsulfonylpiperidin-3-yl)-2-methylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 173164092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).