(2R)-4-(cyclohexylmethylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine

C16H27N3O3S — CID 129400024

IUPAC(2R)-4-(cyclohexylmethylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine
SMILESCCn1cc([C@@H]2CN(S(=O)(=O)CC3CCCCC3)CCO2)cn1
InChIInChI=1S/C16H27N3O3S/c1-2-18-11-15(10-17-18)16-12-19(8-9-22-16)23(20,21)13-14-6-4-3-5-7-14/h10-11,14,16H,2-9,12-13H2,1H3/t16-/m0/s1
InChIKeyRMXPYAJTRGFFCG-INIZCTEOSA-N
MW341.48 g/mol
LogP2.19
Rot. Bonds5

About (2R)-4-(cyclohexylmethylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine

(2R)-4-(cyclohexylmethylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine (PubChem CID 129400024) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is (2R)-4-(cyclohexylmethylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-(cyclohexylmethylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine
PubChem CID129400024
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Name(2R)-4-(cyclohexylmethylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine
SMILESCCn1cc([C@@H]2CN(S(=O)(=O)CC3CCCCC3)CCO2)cn1
InChIInChI=1S/C16H27N3O3S/c1-2-18-11-15(10-17-18)16-12-19(8-9-22-16)23(20,21)13-14-6-4-3-5-7-14/h10-11,14,16H,2-9,12-13H2,1H3/t16-/m0/s1
InChIKeyRMXPYAJTRGFFCG-INIZCTEOSA-N
XLogP2.19
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(cyclohexylmethylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine?
The IUPAC name of (2R)-4-(cyclohexylmethylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine (CID 129400024) is (2R)-4-(cyclohexylmethylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine.
What is the SMILES notation for (2R)-4-(cyclohexylmethylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine?
The canonical SMILES for (2R)-4-(cyclohexylmethylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine is CCn1cc([C@@H]2CN(S(=O)(=O)CC3CCCCC3)CCO2)cn1.
What is the InChIKey of (2R)-4-(cyclohexylmethylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine?
The InChIKey is RMXPYAJTRGFFCG-INIZCTEOSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-2-18-11-15(10-17-18)16-12-19(8-9-22-16)23(20,21)13-14-6-4-3-5-7-14/h10-11,14,16H,2-9,12-13H2,1H3/t16-/m0/s1.
What are the key properties of (2R)-4-(cyclohexylmethylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine?
(2R)-4-(cyclohexylmethylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine has a molecular weight of 341.48 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(cyclohexylmethylsulfonyl)-2-(1-ethylpyrazol-4-yl)morpholine is sourced from PubChem (CID 129400024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).