2-[4-(4-chloro-1-methylpyrazol-5-yl)sulfonylmorpholin-3-yl]cyclopentan-1-ol

C13H20ClN3O4S — CID 128975338

IUPAC2-[4-(4-chloro-1-methylpyrazol-5-yl)sulfonylmorpholin-3-yl]cyclopentan-1-ol
SMILESCn1ncc(Cl)c1S(=O)(=O)N1CCOCC1C1CCCC1O
InChIInChI=1S/C13H20ClN3O4S/c1-16-13(10(14)7-15-16)22(19,20)17-5-6-21-8-11(17)9-3-2-4-12(9)18/h7,9,11-12,18H,2-6,8H2,1H3
InChIKeyORDMJZCLKXXMCQ-UHFFFAOYSA-N
MW349.84 g/mol
LogP0.62
Rot. Bonds3

About 2-[4-(4-chloro-1-methylpyrazol-5-yl)sulfonylmorpholin-3-yl]cyclopentan-1-ol

2-[4-(4-chloro-1-methylpyrazol-5-yl)sulfonylmorpholin-3-yl]cyclopentan-1-ol (PubChem CID 128975338) has the molecular formula C13H20ClN3O4S and a molecular weight of 349.84 g/mol. Its IUPAC name is 2-[4-(4-chloro-1-methylpyrazol-5-yl)sulfonylmorpholin-3-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[4-(4-chloro-1-methylpyrazol-5-yl)sulfonylmorpholin-3-yl]cyclopentan-1-ol
PubChem CID128975338
Molecular FormulaC13H20ClN3O4S
Molecular Weight349.84 g/mol
Exact Mass349.09
IUPAC Name2-[4-(4-chloro-1-methylpyrazol-5-yl)sulfonylmorpholin-3-yl]cyclopentan-1-ol
SMILESCn1ncc(Cl)c1S(=O)(=O)N1CCOCC1C1CCCC1O
InChIInChI=1S/C13H20ClN3O4S/c1-16-13(10(14)7-15-16)22(19,20)17-5-6-21-8-11(17)9-3-2-4-12(9)18/h7,9,11-12,18H,2-6,8H2,1H3
InChIKeyORDMJZCLKXXMCQ-UHFFFAOYSA-N
XLogP0.62
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chloro-1-methylpyrazol-5-yl)sulfonylmorpholin-3-yl]cyclopentan-1-ol?
The IUPAC name of 2-[4-(4-chloro-1-methylpyrazol-5-yl)sulfonylmorpholin-3-yl]cyclopentan-1-ol (CID 128975338) is 2-[4-(4-chloro-1-methylpyrazol-5-yl)sulfonylmorpholin-3-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[4-(4-chloro-1-methylpyrazol-5-yl)sulfonylmorpholin-3-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[4-(4-chloro-1-methylpyrazol-5-yl)sulfonylmorpholin-3-yl]cyclopentan-1-ol is Cn1ncc(Cl)c1S(=O)(=O)N1CCOCC1C1CCCC1O.
What is the InChIKey of 2-[4-(4-chloro-1-methylpyrazol-5-yl)sulfonylmorpholin-3-yl]cyclopentan-1-ol?
The InChIKey is ORDMJZCLKXXMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O4S/c1-16-13(10(14)7-15-16)22(19,20)17-5-6-21-8-11(17)9-3-2-4-12(9)18/h7,9,11-12,18H,2-6,8H2,1H3.
What are the key properties of 2-[4-(4-chloro-1-methylpyrazol-5-yl)sulfonylmorpholin-3-yl]cyclopentan-1-ol?
2-[4-(4-chloro-1-methylpyrazol-5-yl)sulfonylmorpholin-3-yl]cyclopentan-1-ol has a molecular weight of 349.84 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chloro-1-methylpyrazol-5-yl)sulfonylmorpholin-3-yl]cyclopentan-1-ol is sourced from PubChem (CID 128975338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).