2-[(2S)-4-cyclohexylsulfonylmorpholin-2-yl]-4-methyl-1H-pyrimidin-6-one

C15H23N3O4S — CID 137052887

IUPAC2-[(2S)-4-cyclohexylsulfonylmorpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([C@@H]2CN(S(=O)(=O)C3CCCCC3)CCO2)n1
InChIInChI=1S/C15H23N3O4S/c1-11-9-14(19)17-15(16-11)13-10-18(7-8-22-13)23(20,21)12-5-3-2-4-6-12/h9,12-13H,2-8,10H2,1H3,(H,16,17,19)/t13-/m0/s1
InChIKeyNFKYKXLSSVERBT-ZDUSSCGKSA-N
MW341.43 g/mol
LogP1.11
Rot. Bonds3

About 2-[(2S)-4-cyclohexylsulfonylmorpholin-2-yl]-4-methyl-1H-pyrimidin-6-one

2-[(2S)-4-cyclohexylsulfonylmorpholin-2-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 137052887) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-[(2S)-4-cyclohexylsulfonylmorpholin-2-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2S)-4-cyclohexylsulfonylmorpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID137052887
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name2-[(2S)-4-cyclohexylsulfonylmorpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([C@@H]2CN(S(=O)(=O)C3CCCCC3)CCO2)n1
InChIInChI=1S/C15H23N3O4S/c1-11-9-14(19)17-15(16-11)13-10-18(7-8-22-13)23(20,21)12-5-3-2-4-6-12/h9,12-13H,2-8,10H2,1H3,(H,16,17,19)/t13-/m0/s1
InChIKeyNFKYKXLSSVERBT-ZDUSSCGKSA-N
XLogP1.11
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-cyclohexylsulfonylmorpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2S)-4-cyclohexylsulfonylmorpholin-2-yl]-4-methyl-1H-pyrimidin-6-one (CID 137052887) is 2-[(2S)-4-cyclohexylsulfonylmorpholin-2-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2S)-4-cyclohexylsulfonylmorpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2S)-4-cyclohexylsulfonylmorpholin-2-yl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c([C@@H]2CN(S(=O)(=O)C3CCCCC3)CCO2)n1.
What is the InChIKey of 2-[(2S)-4-cyclohexylsulfonylmorpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is NFKYKXLSSVERBT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-11-9-14(19)17-15(16-11)13-10-18(7-8-22-13)23(20,21)12-5-3-2-4-6-12/h9,12-13H,2-8,10H2,1H3,(H,16,17,19)/t13-/m0/s1.
What are the key properties of 2-[(2S)-4-cyclohexylsulfonylmorpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
2-[(2S)-4-cyclohexylsulfonylmorpholin-2-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 341.43 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-cyclohexylsulfonylmorpholin-2-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137052887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).