1-[5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-yl]piperidin-4-ol

C15H24N4O3S — CID 95894083

IUPAC1-[5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-yl]piperidin-4-ol
SMILESCS(=O)(=O)c1cnc(N2CCC(O)CC2)nc1[C@@H]1CCCNC1
InChIInChI=1S/C15H24N4O3S/c1-23(21,22)13-10-17-15(19-7-4-12(20)5-8-19)18-14(13)11-3-2-6-16-9-11/h10-12,16,20H,2-9H2,1H3/t11-/m1/s1
InChIKeyBKPDOOWVEPPJFB-LLVKDONJSA-N
MW340.45 g/mol
LogP0.31
Rot. Bonds3

About 1-[5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-yl]piperidin-4-ol

1-[5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-yl]piperidin-4-ol (PubChem CID 95894083) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-[5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-yl]piperidin-4-ol
PubChem CID95894083
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name1-[5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-yl]piperidin-4-ol
SMILESCS(=O)(=O)c1cnc(N2CCC(O)CC2)nc1[C@@H]1CCCNC1
InChIInChI=1S/C15H24N4O3S/c1-23(21,22)13-10-17-15(19-7-4-12(20)5-8-19)18-14(13)11-3-2-6-16-9-11/h10-12,16,20H,2-9H2,1H3/t11-/m1/s1
InChIKeyBKPDOOWVEPPJFB-LLVKDONJSA-N
XLogP0.31
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-yl]piperidin-4-ol (CID 95894083) is 1-[5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-yl]piperidin-4-ol is CS(=O)(=O)c1cnc(N2CCC(O)CC2)nc1[C@@H]1CCCNC1.
What is the InChIKey of 1-[5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-yl]piperidin-4-ol?
The InChIKey is BKPDOOWVEPPJFB-LLVKDONJSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-23(21,22)13-10-17-15(19-7-4-12(20)5-8-19)18-14(13)11-3-2-6-16-9-11/h10-12,16,20H,2-9H2,1H3/t11-/m1/s1.
What are the key properties of 1-[5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-yl]piperidin-4-ol?
1-[5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-yl]piperidin-4-ol has a molecular weight of 340.45 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-yl]piperidin-4-ol is sourced from PubChem (CID 95894083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).