(2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-pyridin-2-ylmorpholine

C13H16N4O3S — CID 95846074

IUPAC(2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-pyridin-2-ylmorpholine
SMILESCn1cc(S(=O)(=O)N2CCO[C@H](c3ccccn3)C2)cn1
InChIInChI=1S/C13H16N4O3S/c1-16-9-11(8-15-16)21(18,19)17-6-7-20-13(10-17)12-4-2-3-5-14-12/h2-5,8-9,13H,6-7,10H2,1H3/t13-/m0/s1
InChIKeyLMSCTCOSSLZZLE-ZDUSSCGKSA-N
MW308.36 g/mol
LogP0.58
Rot. Bonds3

About (2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-pyridin-2-ylmorpholine

(2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-pyridin-2-ylmorpholine (PubChem CID 95846074) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is (2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-pyridin-2-ylmorpholine.

Molecular Properties

Compound Name(2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-pyridin-2-ylmorpholine
PubChem CID95846074
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name(2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-pyridin-2-ylmorpholine
SMILESCn1cc(S(=O)(=O)N2CCO[C@H](c3ccccn3)C2)cn1
InChIInChI=1S/C13H16N4O3S/c1-16-9-11(8-15-16)21(18,19)17-6-7-20-13(10-17)12-4-2-3-5-14-12/h2-5,8-9,13H,6-7,10H2,1H3/t13-/m0/s1
InChIKeyLMSCTCOSSLZZLE-ZDUSSCGKSA-N
XLogP0.58
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-pyridin-2-ylmorpholine?
The IUPAC name of (2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-pyridin-2-ylmorpholine (CID 95846074) is (2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-pyridin-2-ylmorpholine.
What is the SMILES notation for (2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-pyridin-2-ylmorpholine?
The canonical SMILES for (2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-pyridin-2-ylmorpholine is Cn1cc(S(=O)(=O)N2CCO[C@H](c3ccccn3)C2)cn1.
What is the InChIKey of (2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-pyridin-2-ylmorpholine?
The InChIKey is LMSCTCOSSLZZLE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-16-9-11(8-15-16)21(18,19)17-6-7-20-13(10-17)12-4-2-3-5-14-12/h2-5,8-9,13H,6-7,10H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-pyridin-2-ylmorpholine?
(2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-pyridin-2-ylmorpholine has a molecular weight of 308.36 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(1-methylpyrazol-4-yl)sulfonyl-2-pyridin-2-ylmorpholine is sourced from PubChem (CID 95846074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).