2-[3-hydroxypropyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide

C13H27N3O4S — CID 68824663

IUPAC2-[3-hydroxypropyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide
SMILESCC(C)N1CCC(N(CCCO)S(=O)(=O)CC(N)=O)CC1
InChIInChI=1S/C13H27N3O4S/c1-11(2)15-7-4-12(5-8-15)16(6-3-9-17)21(19,20)10-13(14)18/h11-12,17H,3-10H2,1-2H3,(H2,14,18)
InChIKeyXIAPFMYSBQESCB-UHFFFAOYSA-N
MW321.44 g/mol
LogP-0.64
Rot. Bonds8

About 2-[3-hydroxypropyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide

2-[3-hydroxypropyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide (PubChem CID 68824663) has the molecular formula C13H27N3O4S and a molecular weight of 321.44 g/mol. Its IUPAC name is 2-[3-hydroxypropyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide.

Molecular Properties

Compound Name2-[3-hydroxypropyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide
PubChem CID68824663
Molecular FormulaC13H27N3O4S
Molecular Weight321.44 g/mol
Exact Mass321.17
IUPAC Name2-[3-hydroxypropyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide
SMILESCC(C)N1CCC(N(CCCO)S(=O)(=O)CC(N)=O)CC1
InChIInChI=1S/C13H27N3O4S/c1-11(2)15-7-4-12(5-8-15)16(6-3-9-17)21(19,20)10-13(14)18/h11-12,17H,3-10H2,1-2H3,(H2,14,18)
InChIKeyXIAPFMYSBQESCB-UHFFFAOYSA-N
XLogP-0.64
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxypropyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide?
The IUPAC name of 2-[3-hydroxypropyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide (CID 68824663) is 2-[3-hydroxypropyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide.
What is the SMILES notation for 2-[3-hydroxypropyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide?
The canonical SMILES for 2-[3-hydroxypropyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide is CC(C)N1CCC(N(CCCO)S(=O)(=O)CC(N)=O)CC1.
What is the InChIKey of 2-[3-hydroxypropyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide?
The InChIKey is XIAPFMYSBQESCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O4S/c1-11(2)15-7-4-12(5-8-15)16(6-3-9-17)21(19,20)10-13(14)18/h11-12,17H,3-10H2,1-2H3,(H2,14,18).
What are the key properties of 2-[3-hydroxypropyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide?
2-[3-hydroxypropyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide has a molecular weight of 321.44 g/mol, XLogP of -0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxypropyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide is sourced from PubChem (CID 68824663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).