4-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]oxane-4-carboxamide

C13H25N3O4S — CID 56797556

IUPAC4-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]oxane-4-carboxamide
SMILESCC1CCCCN1S(=O)(=O)NCC1(C(N)=O)CCOCC1
InChIInChI=1S/C13H25N3O4S/c1-11-4-2-3-7-16(11)21(18,19)15-10-13(12(14)17)5-8-20-9-6-13/h11,15H,2-10H2,1H3,(H2,14,17)
InChIKeyAHSYHVHTUVFOGR-UHFFFAOYSA-N
MW319.43 g/mol
LogP-0.02
Rot. Bonds5

About 4-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]oxane-4-carboxamide

4-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]oxane-4-carboxamide (PubChem CID 56797556) has the molecular formula C13H25N3O4S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]oxane-4-carboxamide
PubChem CID56797556
Molecular FormulaC13H25N3O4S
Molecular Weight319.43 g/mol
Exact Mass319.16
IUPAC Name4-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]oxane-4-carboxamide
SMILESCC1CCCCN1S(=O)(=O)NCC1(C(N)=O)CCOCC1
InChIInChI=1S/C13H25N3O4S/c1-11-4-2-3-7-16(11)21(18,19)15-10-13(12(14)17)5-8-20-9-6-13/h11,15H,2-10H2,1H3,(H2,14,17)
InChIKeyAHSYHVHTUVFOGR-UHFFFAOYSA-N
XLogP-0.02
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]oxane-4-carboxamide?
The IUPAC name of 4-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]oxane-4-carboxamide (CID 56797556) is 4-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]oxane-4-carboxamide?
The canonical SMILES for 4-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]oxane-4-carboxamide is CC1CCCCN1S(=O)(=O)NCC1(C(N)=O)CCOCC1.
What is the InChIKey of 4-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]oxane-4-carboxamide?
The InChIKey is AHSYHVHTUVFOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4S/c1-11-4-2-3-7-16(11)21(18,19)15-10-13(12(14)17)5-8-20-9-6-13/h11,15H,2-10H2,1H3,(H2,14,17).
What are the key properties of 4-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]oxane-4-carboxamide?
4-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]oxane-4-carboxamide has a molecular weight of 319.43 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]oxane-4-carboxamide is sourced from PubChem (CID 56797556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).