(2R)-4-(5-chlorothiophen-2-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine

C13H16ClN3O3S2 — CID 129400004

IUPAC(2R)-4-(5-chlorothiophen-2-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
SMILESCCn1cc([C@@H]2CN(S(=O)(=O)c3ccc(Cl)s3)CCO2)cn1
InChIInChI=1S/C13H16ClN3O3S2/c1-2-16-8-10(7-15-16)11-9-17(5-6-20-11)22(18,19)13-4-3-12(14)21-13/h3-4,7-8,11H,2,5-6,9H2,1H3/t11-/m0/s1
InChIKeyXXSQXQXRAHHZLW-NSHDSACASA-N
MW361.88 g/mol
LogP2.38
Rot. Bonds4

About (2R)-4-(5-chlorothiophen-2-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine

(2R)-4-(5-chlorothiophen-2-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine (PubChem CID 129400004) has the molecular formula C13H16ClN3O3S2 and a molecular weight of 361.88 g/mol. Its IUPAC name is (2R)-4-(5-chlorothiophen-2-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-(5-chlorothiophen-2-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
PubChem CID129400004
Molecular FormulaC13H16ClN3O3S2
Molecular Weight361.88 g/mol
Exact Mass361.03
IUPAC Name(2R)-4-(5-chlorothiophen-2-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
SMILESCCn1cc([C@@H]2CN(S(=O)(=O)c3ccc(Cl)s3)CCO2)cn1
InChIInChI=1S/C13H16ClN3O3S2/c1-2-16-8-10(7-15-16)11-9-17(5-6-20-11)22(18,19)13-4-3-12(14)21-13/h3-4,7-8,11H,2,5-6,9H2,1H3/t11-/m0/s1
InChIKeyXXSQXQXRAHHZLW-NSHDSACASA-N
XLogP2.38
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(5-chlorothiophen-2-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine?
The IUPAC name of (2R)-4-(5-chlorothiophen-2-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine (CID 129400004) is (2R)-4-(5-chlorothiophen-2-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine.
What is the SMILES notation for (2R)-4-(5-chlorothiophen-2-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine?
The canonical SMILES for (2R)-4-(5-chlorothiophen-2-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine is CCn1cc([C@@H]2CN(S(=O)(=O)c3ccc(Cl)s3)CCO2)cn1.
What is the InChIKey of (2R)-4-(5-chlorothiophen-2-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine?
The InChIKey is XXSQXQXRAHHZLW-NSHDSACASA-N. The full InChI is InChI=1S/C13H16ClN3O3S2/c1-2-16-8-10(7-15-16)11-9-17(5-6-20-11)22(18,19)13-4-3-12(14)21-13/h3-4,7-8,11H,2,5-6,9H2,1H3/t11-/m0/s1.
What are the key properties of (2R)-4-(5-chlorothiophen-2-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine?
(2R)-4-(5-chlorothiophen-2-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine has a molecular weight of 361.88 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(5-chlorothiophen-2-yl)sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine is sourced from PubChem (CID 129400004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).