2-[4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]piperidin-1-yl]pyrimidine

C14H22N4O2S — CID 26391186

IUPAC2-[4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]piperidin-1-yl]pyrimidine
SMILESCS(=O)(=O)N1CC[C@H](C2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C14H22N4O2S/c1-21(19,20)18-10-5-13(11-18)12-3-8-17(9-4-12)14-15-6-2-7-16-14/h2,6-7,12-13H,3-5,8-11H2,1H3/t13-/m0/s1
InChIKeyOGISSXAWPBUBRW-ZDUSSCGKSA-N
MW310.42 g/mol
LogP0.97
Rot. Bonds3

About 2-[4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]piperidin-1-yl]pyrimidine

2-[4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]piperidin-1-yl]pyrimidine (PubChem CID 26391186) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]piperidin-1-yl]pyrimidine
PubChem CID26391186
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name2-[4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]piperidin-1-yl]pyrimidine
SMILESCS(=O)(=O)N1CC[C@H](C2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C14H22N4O2S/c1-21(19,20)18-10-5-13(11-18)12-3-8-17(9-4-12)14-15-6-2-7-16-14/h2,6-7,12-13H,3-5,8-11H2,1H3/t13-/m0/s1
InChIKeyOGISSXAWPBUBRW-ZDUSSCGKSA-N
XLogP0.97
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]piperidin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]piperidin-1-yl]pyrimidine (CID 26391186) is 2-[4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]piperidin-1-yl]pyrimidine is CS(=O)(=O)N1CC[C@H](C2CCN(c3ncccn3)CC2)C1.
What is the InChIKey of 2-[4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]piperidin-1-yl]pyrimidine?
The InChIKey is OGISSXAWPBUBRW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-21(19,20)18-10-5-13(11-18)12-3-8-17(9-4-12)14-15-6-2-7-16-14/h2,6-7,12-13H,3-5,8-11H2,1H3/t13-/m0/s1.
What are the key properties of 2-[4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]piperidin-1-yl]pyrimidine?
2-[4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]piperidin-1-yl]pyrimidine has a molecular weight of 310.42 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3R)-1-methylsulfonylpyrrolidin-3-yl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 26391186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).