2-(4-methylpentyl)-4-pyridin-3-ylsulfonylmorpholine

C15H24N2O3S — CID 45245819

IUPAC2-(4-methylpentyl)-4-pyridin-3-ylsulfonylmorpholine
SMILESCC(C)CCCC1CN(S(=O)(=O)c2cccnc2)CCO1
InChIInChI=1S/C15H24N2O3S/c1-13(2)5-3-6-14-12-17(9-10-20-14)21(18,19)15-7-4-8-16-11-15/h4,7-8,11,13-14H,3,5-6,9-10,12H2,1-2H3
InChIKeyXWTFMGCSRILHCL-UHFFFAOYSA-N
MW312.43 g/mol
LogP2.30
Rot. Bonds6

About 2-(4-methylpentyl)-4-pyridin-3-ylsulfonylmorpholine

2-(4-methylpentyl)-4-pyridin-3-ylsulfonylmorpholine (PubChem CID 45245819) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 2-(4-methylpentyl)-4-pyridin-3-ylsulfonylmorpholine.

Molecular Properties

Compound Name2-(4-methylpentyl)-4-pyridin-3-ylsulfonylmorpholine
PubChem CID45245819
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name2-(4-methylpentyl)-4-pyridin-3-ylsulfonylmorpholine
SMILESCC(C)CCCC1CN(S(=O)(=O)c2cccnc2)CCO1
InChIInChI=1S/C15H24N2O3S/c1-13(2)5-3-6-14-12-17(9-10-20-14)21(18,19)15-7-4-8-16-11-15/h4,7-8,11,13-14H,3,5-6,9-10,12H2,1-2H3
InChIKeyXWTFMGCSRILHCL-UHFFFAOYSA-N
XLogP2.30
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 130310140
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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentyl)-4-pyridin-3-ylsulfonylmorpholine?
The IUPAC name of 2-(4-methylpentyl)-4-pyridin-3-ylsulfonylmorpholine (CID 45245819) is 2-(4-methylpentyl)-4-pyridin-3-ylsulfonylmorpholine.
What is the SMILES notation for 2-(4-methylpentyl)-4-pyridin-3-ylsulfonylmorpholine?
The canonical SMILES for 2-(4-methylpentyl)-4-pyridin-3-ylsulfonylmorpholine is CC(C)CCCC1CN(S(=O)(=O)c2cccnc2)CCO1.
What is the InChIKey of 2-(4-methylpentyl)-4-pyridin-3-ylsulfonylmorpholine?
The InChIKey is XWTFMGCSRILHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-13(2)5-3-6-14-12-17(9-10-20-14)21(18,19)15-7-4-8-16-11-15/h4,7-8,11,13-14H,3,5-6,9-10,12H2,1-2H3.
What are the key properties of 2-(4-methylpentyl)-4-pyridin-3-ylsulfonylmorpholine?
2-(4-methylpentyl)-4-pyridin-3-ylsulfonylmorpholine has a molecular weight of 312.43 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentyl)-4-pyridin-3-ylsulfonylmorpholine is sourced from PubChem (CID 45245819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).