(3S)-4-(2-ethylpyrazol-3-yl)sulfonyl-3-[(1S,2S)-2-methoxycyclopentyl]morpholine

C15H25N3O4S — CID 129491387

IUPAC(3S)-4-(2-ethylpyrazol-3-yl)sulfonyl-3-[(1S,2S)-2-methoxycyclopentyl]morpholine
SMILESCCn1nccc1S(=O)(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1OC
InChIInChI=1S/C15H25N3O4S/c1-3-17-15(7-8-16-17)23(19,20)18-9-10-22-11-13(18)12-5-4-6-14(12)21-2/h7-8,12-14H,3-6,9-11H2,1-2H3/t12-,13+,14-/m0/s1
InChIKeyGPLDHDAMOVNUEP-MJBXVCDLSA-N
MW343.45 g/mol
LogP1.11
Rot. Bonds5

About (3S)-4-(2-ethylpyrazol-3-yl)sulfonyl-3-[(1S,2S)-2-methoxycyclopentyl]morpholine

(3S)-4-(2-ethylpyrazol-3-yl)sulfonyl-3-[(1S,2S)-2-methoxycyclopentyl]morpholine (PubChem CID 129491387) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is (3S)-4-(2-ethylpyrazol-3-yl)sulfonyl-3-[(1S,2S)-2-methoxycyclopentyl]morpholine.

Molecular Properties

Compound Name(3S)-4-(2-ethylpyrazol-3-yl)sulfonyl-3-[(1S,2S)-2-methoxycyclopentyl]morpholine
PubChem CID129491387
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Name(3S)-4-(2-ethylpyrazol-3-yl)sulfonyl-3-[(1S,2S)-2-methoxycyclopentyl]morpholine
SMILESCCn1nccc1S(=O)(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1OC
InChIInChI=1S/C15H25N3O4S/c1-3-17-15(7-8-16-17)23(19,20)18-9-10-22-11-13(18)12-5-4-6-14(12)21-2/h7-8,12-14H,3-6,9-11H2,1-2H3/t12-,13+,14-/m0/s1
InChIKeyGPLDHDAMOVNUEP-MJBXVCDLSA-N
XLogP1.11
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-(2-ethylpyrazol-3-yl)sulfonyl-3-[(1S,2S)-2-methoxycyclopentyl]morpholine?
The IUPAC name of (3S)-4-(2-ethylpyrazol-3-yl)sulfonyl-3-[(1S,2S)-2-methoxycyclopentyl]morpholine (CID 129491387) is (3S)-4-(2-ethylpyrazol-3-yl)sulfonyl-3-[(1S,2S)-2-methoxycyclopentyl]morpholine.
What is the SMILES notation for (3S)-4-(2-ethylpyrazol-3-yl)sulfonyl-3-[(1S,2S)-2-methoxycyclopentyl]morpholine?
The canonical SMILES for (3S)-4-(2-ethylpyrazol-3-yl)sulfonyl-3-[(1S,2S)-2-methoxycyclopentyl]morpholine is CCn1nccc1S(=O)(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1OC.
What is the InChIKey of (3S)-4-(2-ethylpyrazol-3-yl)sulfonyl-3-[(1S,2S)-2-methoxycyclopentyl]morpholine?
The InChIKey is GPLDHDAMOVNUEP-MJBXVCDLSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-3-17-15(7-8-16-17)23(19,20)18-9-10-22-11-13(18)12-5-4-6-14(12)21-2/h7-8,12-14H,3-6,9-11H2,1-2H3/t12-,13+,14-/m0/s1.
What are the key properties of (3S)-4-(2-ethylpyrazol-3-yl)sulfonyl-3-[(1S,2S)-2-methoxycyclopentyl]morpholine?
(3S)-4-(2-ethylpyrazol-3-yl)sulfonyl-3-[(1S,2S)-2-methoxycyclopentyl]morpholine has a molecular weight of 343.45 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(2-ethylpyrazol-3-yl)sulfonyl-3-[(1S,2S)-2-methoxycyclopentyl]morpholine is sourced from PubChem (CID 129491387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).