N-[2-(2-methylpiperidin-1-yl)propyl]morpholine-4-sulfonamide

C13H27N3O3S — CID 71896054

IUPACN-[2-(2-methylpiperidin-1-yl)propyl]morpholine-4-sulfonamide
SMILESCC1CCCCN1C(C)CNS(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H27N3O3S/c1-12-5-3-4-6-16(12)13(2)11-14-20(17,18)15-7-9-19-10-8-15/h12-14H,3-11H2,1-2H3
InChIKeyYHEABSAPVWVBMY-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.42
Rot. Bonds5

About N-[2-(2-methylpiperidin-1-yl)propyl]morpholine-4-sulfonamide

N-[2-(2-methylpiperidin-1-yl)propyl]morpholine-4-sulfonamide (PubChem CID 71896054) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[2-(2-methylpiperidin-1-yl)propyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methylpiperidin-1-yl)propyl]morpholine-4-sulfonamide
PubChem CID71896054
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC NameN-[2-(2-methylpiperidin-1-yl)propyl]morpholine-4-sulfonamide
SMILESCC1CCCCN1C(C)CNS(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H27N3O3S/c1-12-5-3-4-6-16(12)13(2)11-14-20(17,18)15-7-9-19-10-8-15/h12-14H,3-11H2,1-2H3
InChIKeyYHEABSAPVWVBMY-UHFFFAOYSA-N
XLogP0.42
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpiperidin-1-yl)propyl]morpholine-4-sulfonamide?
The IUPAC name of N-[2-(2-methylpiperidin-1-yl)propyl]morpholine-4-sulfonamide (CID 71896054) is N-[2-(2-methylpiperidin-1-yl)propyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[2-(2-methylpiperidin-1-yl)propyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[2-(2-methylpiperidin-1-yl)propyl]morpholine-4-sulfonamide is CC1CCCCN1C(C)CNS(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[2-(2-methylpiperidin-1-yl)propyl]morpholine-4-sulfonamide?
The InChIKey is YHEABSAPVWVBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-12-5-3-4-6-16(12)13(2)11-14-20(17,18)15-7-9-19-10-8-15/h12-14H,3-11H2,1-2H3.
What are the key properties of N-[2-(2-methylpiperidin-1-yl)propyl]morpholine-4-sulfonamide?
N-[2-(2-methylpiperidin-1-yl)propyl]morpholine-4-sulfonamide has a molecular weight of 305.44 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpiperidin-1-yl)propyl]morpholine-4-sulfonamide is sourced from PubChem (CID 71896054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).