(E)-but-2-enedioic acid;2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide

C14H25N3O7S — CID 68822209

IUPAC(E)-but-2-enedioic acid;2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide
SMILESCC(C)N1CCC(NS(=O)(=O)CC(N)=O)CC1.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C10H21N3O3S.C4H4O4/c1-8(2)13-5-3-9(4-6-13)12-17(15,16)7-10(11)14;5-3(6)1-2-4(7)8/h8-9,12H,3-7H2,1-2H3,(H2,11,14);1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKeyOZORKTUCXPKNKQ-WLHGVMLRSA-N
MW379.44 g/mol
LogP-1.02
Rot. Bonds7

About (E)-but-2-enedioic acid;2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide

(E)-but-2-enedioic acid;2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide (PubChem CID 68822209) has the molecular formula C14H25N3O7S and a molecular weight of 379.44 g/mol. Its IUPAC name is (E)-but-2-enedioic acid;2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide.

Molecular Properties

Compound Name(E)-but-2-enedioic acid;2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide
PubChem CID68822209
Molecular FormulaC14H25N3O7S
Molecular Weight379.44 g/mol
Exact Mass379.14
IUPAC Name(E)-but-2-enedioic acid;2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide
SMILESCC(C)N1CCC(NS(=O)(=O)CC(N)=O)CC1.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C10H21N3O3S.C4H4O4/c1-8(2)13-5-3-9(4-6-13)12-17(15,16)7-10(11)14;5-3(6)1-2-4(7)8/h8-9,12H,3-7H2,1-2H3,(H2,11,14);1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKeyOZORKTUCXPKNKQ-WLHGVMLRSA-N
XLogP-1.02
TPSA167.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-but-2-enedioic acid;2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide?
The IUPAC name of (E)-but-2-enedioic acid;2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide (CID 68822209) is (E)-but-2-enedioic acid;2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide.
What is the SMILES notation for (E)-but-2-enedioic acid;2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide?
The canonical SMILES for (E)-but-2-enedioic acid;2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide is CC(C)N1CCC(NS(=O)(=O)CC(N)=O)CC1.O=C(O)/C=C/C(=O)O.
What is the InChIKey of (E)-but-2-enedioic acid;2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide?
The InChIKey is OZORKTUCXPKNKQ-WLHGVMLRSA-N. The full InChI is InChI=1S/C10H21N3O3S.C4H4O4/c1-8(2)13-5-3-9(4-6-13)12-17(15,16)7-10(11)14;5-3(6)1-2-4(7)8/h8-9,12H,3-7H2,1-2H3,(H2,11,14);1-2H,(H,5,6)(H,7,8)/b;2-1+.
What are the key properties of (E)-but-2-enedioic acid;2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide?
(E)-but-2-enedioic acid;2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide has a molecular weight of 379.44 g/mol, XLogP of -1.02, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-enedioic acid;2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]acetamide is sourced from PubChem (CID 68822209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).