(2S)-4-cyclopentylsulfonyl-2-(4,6-dimethylpyrimidin-2-yl)morpholine

C15H23N3O3S — CID 125011329

IUPAC(2S)-4-cyclopentylsulfonyl-2-(4,6-dimethylpyrimidin-2-yl)morpholine
SMILESCc1cc(C)nc([C@@H]2CN(S(=O)(=O)C3CCCC3)CCO2)n1
InChIInChI=1S/C15H23N3O3S/c1-11-9-12(2)17-15(16-11)14-10-18(7-8-21-14)22(19,20)13-5-3-4-6-13/h9,13-14H,3-8,10H2,1-2H3/t14-/m0/s1
InChIKeyVPISKXKUWVBVCN-AWEZNQCLSA-N
MW325.43 g/mol
LogP1.74
Rot. Bonds3

About (2S)-4-cyclopentylsulfonyl-2-(4,6-dimethylpyrimidin-2-yl)morpholine

(2S)-4-cyclopentylsulfonyl-2-(4,6-dimethylpyrimidin-2-yl)morpholine (PubChem CID 125011329) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is (2S)-4-cyclopentylsulfonyl-2-(4,6-dimethylpyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-cyclopentylsulfonyl-2-(4,6-dimethylpyrimidin-2-yl)morpholine
PubChem CID125011329
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name(2S)-4-cyclopentylsulfonyl-2-(4,6-dimethylpyrimidin-2-yl)morpholine
SMILESCc1cc(C)nc([C@@H]2CN(S(=O)(=O)C3CCCC3)CCO2)n1
InChIInChI=1S/C15H23N3O3S/c1-11-9-12(2)17-15(16-11)14-10-18(7-8-21-14)22(19,20)13-5-3-4-6-13/h9,13-14H,3-8,10H2,1-2H3/t14-/m0/s1
InChIKeyVPISKXKUWVBVCN-AWEZNQCLSA-N
XLogP1.74
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-4-cyclopentylsulfonylmorpholin-2-yl]-N,6-dimethylpyridin-4-amine
CID 124978136
2-[(2S)-4-cyclohexylsulfonylmorpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137052887
(2R)-2-(4,6-dimethylpyrimidin-2-yl)-4-(4-methylphenyl)sulfonylmorpholine
CID 124999153
6-[(2S)-4-cyclopentylsulfonylmorpholin-2-yl]-N-(1,5-dimethylpyrazol-3-yl)pyridin-2-amine
CID 124970812
6-methyl-2-(4-methylmorpholin-2-yl)pyrimidin-4-amine
CID 79088802
(2S)-4-cyclobutylsulfonyl-2-methylmorpholine
CID 155354330
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-cyclopropylsulfonylmorpholine
CID 99840275
[2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-pyrimidin-2-ylmethanone
CID 110115566
2-(2,6-dimethylpyrimidin-4-yl)-N,N-dimethylmorpholine-4-sulfonamide
CID 110115941
4,6-dimethyl-N-[2-methyl-6-[(2R)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-4-pyridinyl]pyrimidin-2-amine
CID 125025381
4-(2-methylphenyl)sulfonyl-2-(4-methylpyrimidin-2-yl)morpholine
CID 110115458
1-[(2S)-2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-2-methoxy-2-methylpropan-1-one
CID 124960101

Frequently Asked Questions

What is the IUPAC name of (2S)-4-cyclopentylsulfonyl-2-(4,6-dimethylpyrimidin-2-yl)morpholine?
The IUPAC name of (2S)-4-cyclopentylsulfonyl-2-(4,6-dimethylpyrimidin-2-yl)morpholine (CID 125011329) is (2S)-4-cyclopentylsulfonyl-2-(4,6-dimethylpyrimidin-2-yl)morpholine.
What is the SMILES notation for (2S)-4-cyclopentylsulfonyl-2-(4,6-dimethylpyrimidin-2-yl)morpholine?
The canonical SMILES for (2S)-4-cyclopentylsulfonyl-2-(4,6-dimethylpyrimidin-2-yl)morpholine is Cc1cc(C)nc([C@@H]2CN(S(=O)(=O)C3CCCC3)CCO2)n1.
What is the InChIKey of (2S)-4-cyclopentylsulfonyl-2-(4,6-dimethylpyrimidin-2-yl)morpholine?
The InChIKey is VPISKXKUWVBVCN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-11-9-12(2)17-15(16-11)14-10-18(7-8-21-14)22(19,20)13-5-3-4-6-13/h9,13-14H,3-8,10H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-4-cyclopentylsulfonyl-2-(4,6-dimethylpyrimidin-2-yl)morpholine?
(2S)-4-cyclopentylsulfonyl-2-(4,6-dimethylpyrimidin-2-yl)morpholine has a molecular weight of 325.43 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-cyclopentylsulfonyl-2-(4,6-dimethylpyrimidin-2-yl)morpholine is sourced from PubChem (CID 125011329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).