4-[6-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyrimidin-4-yl]morpholine

C15H22N4O4S — CID 95108129

IUPAC4-[6-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyrimidin-4-yl]morpholine
SMILESO=S(=O)(C1CC1)N1CC[C@H](Oc2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C15H22N4O4S/c20-24(21,13-1-2-13)19-4-3-12(10-19)23-15-9-14(16-11-17-15)18-5-7-22-8-6-18/h9,11-13H,1-8,10H2/t12-/m0/s1
InChIKeyLTZJCVNOHKVUEK-LBPRGKRZSA-N
MW354.43 g/mol
LogP0.26
Rot. Bonds5

About 4-[6-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyrimidin-4-yl]morpholine

4-[6-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyrimidin-4-yl]morpholine (PubChem CID 95108129) has the molecular formula C15H22N4O4S and a molecular weight of 354.43 g/mol. Its IUPAC name is 4-[6-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyrimidin-4-yl]morpholine
PubChem CID95108129
Molecular FormulaC15H22N4O4S
Molecular Weight354.43 g/mol
Exact Mass354.14
IUPAC Name4-[6-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyrimidin-4-yl]morpholine
SMILESO=S(=O)(C1CC1)N1CC[C@H](Oc2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C15H22N4O4S/c20-24(21,13-1-2-13)19-4-3-12(10-19)23-15-9-14(16-11-17-15)18-5-7-22-8-6-18/h9,11-13H,1-8,10H2/t12-/m0/s1
InChIKeyLTZJCVNOHKVUEK-LBPRGKRZSA-N
XLogP0.26
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyrimidin-4-yl]morpholine (CID 95108129) is 4-[6-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyrimidin-4-yl]morpholine is O=S(=O)(C1CC1)N1CC[C@H](Oc2cc(N3CCOCC3)ncn2)C1.
What is the InChIKey of 4-[6-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyrimidin-4-yl]morpholine?
The InChIKey is LTZJCVNOHKVUEK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N4O4S/c20-24(21,13-1-2-13)19-4-3-12(10-19)23-15-9-14(16-11-17-15)18-5-7-22-8-6-18/h9,11-13H,1-8,10H2/t12-/m0/s1.
What are the key properties of 4-[6-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyrimidin-4-yl]morpholine?
4-[6-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyrimidin-4-yl]morpholine has a molecular weight of 354.43 g/mol, XLogP of 0.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]oxypyrimidin-4-yl]morpholine is sourced from PubChem (CID 95108129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).