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

C12H25N3O4S — CID 68821540

IUPAC2-[2-hydroxyethyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide
SMILESCC(C)N1CCC(N(CCO)S(=O)(=O)CC(N)=O)CC1
InChIInChI=1S/C12H25N3O4S/c1-10(2)14-5-3-11(4-6-14)15(7-8-16)20(18,19)9-12(13)17/h10-11,16H,3-9H2,1-2H3,(H2,13,17)
InChIKeyAQINUIRGVHKKGJ-UHFFFAOYSA-N
MW307.42 g/mol
LogP-1.03
Rot. Bonds7

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

2-[2-hydroxyethyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide (PubChem CID 68821540) has the molecular formula C12H25N3O4S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide
PubChem CID68821540
Molecular FormulaC12H25N3O4S
Molecular Weight307.42 g/mol
Exact Mass307.16
IUPAC Name2-[2-hydroxyethyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide
SMILESCC(C)N1CCC(N(CCO)S(=O)(=O)CC(N)=O)CC1
InChIInChI=1S/C12H25N3O4S/c1-10(2)14-5-3-11(4-6-14)15(7-8-16)20(18,19)9-12(13)17/h10-11,16H,3-9H2,1-2H3,(H2,13,17)
InChIKeyAQINUIRGVHKKGJ-UHFFFAOYSA-N
XLogP-1.03
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide?
The IUPAC name of 2-[2-hydroxyethyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide (CID 68821540) is 2-[2-hydroxyethyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide.
What is the SMILES notation for 2-[2-hydroxyethyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide?
The canonical SMILES for 2-[2-hydroxyethyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide is CC(C)N1CCC(N(CCO)S(=O)(=O)CC(N)=O)CC1.
What is the InChIKey of 2-[2-hydroxyethyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide?
The InChIKey is AQINUIRGVHKKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4S/c1-10(2)14-5-3-11(4-6-14)15(7-8-16)20(18,19)9-12(13)17/h10-11,16H,3-9H2,1-2H3,(H2,13,17).
What are the key properties of 2-[2-hydroxyethyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide?
2-[2-hydroxyethyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide has a molecular weight of 307.42 g/mol, XLogP of -1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide is sourced from PubChem (CID 68821540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).