1-[(3-hydroxypiperidin-3-yl)methyl]-3-[4-(propylsulfamoyl)phenyl]urea

C16H26N4O4S — CID 118771640

IUPAC1-[(3-hydroxypiperidin-3-yl)methyl]-3-[4-(propylsulfamoyl)phenyl]urea
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)NCC2(O)CCCNC2)cc1
InChIInChI=1S/C16H26N4O4S/c1-2-9-19-25(23,24)14-6-4-13(5-7-14)20-15(21)18-12-16(22)8-3-10-17-11-16/h4-7,17,19,22H,2-3,8-12H2,1H3,(H2,18,20,21)
InChIKeyYMJVQDLASPXEAD-UHFFFAOYSA-N
MW370.48 g/mol
LogP0.61
Rot. Bonds7

About 1-[(3-hydroxypiperidin-3-yl)methyl]-3-[4-(propylsulfamoyl)phenyl]urea

1-[(3-hydroxypiperidin-3-yl)methyl]-3-[4-(propylsulfamoyl)phenyl]urea (PubChem CID 118771640) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is 1-[(3-hydroxypiperidin-3-yl)methyl]-3-[4-(propylsulfamoyl)phenyl]urea.

Molecular Properties

Compound Name1-[(3-hydroxypiperidin-3-yl)methyl]-3-[4-(propylsulfamoyl)phenyl]urea
PubChem CID118771640
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC Name1-[(3-hydroxypiperidin-3-yl)methyl]-3-[4-(propylsulfamoyl)phenyl]urea
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)NCC2(O)CCCNC2)cc1
InChIInChI=1S/C16H26N4O4S/c1-2-9-19-25(23,24)14-6-4-13(5-7-14)20-15(21)18-12-16(22)8-3-10-17-11-16/h4-7,17,19,22H,2-3,8-12H2,1H3,(H2,18,20,21)
InChIKeyYMJVQDLASPXEAD-UHFFFAOYSA-N
XLogP0.61
TPSA119.56 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 50.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-4-(propylsulfamoyl)benzamide
CID 124756680
N-[4-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]phenyl]acetamide
CID 114760106
N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide
CID 125440803
1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[4-(propylsulfamoyl)phenyl]urea
CID 118780196
N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2134216
3,4-difluoro-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide
CID 125440671
1-[(3-hydroxypiperidin-3-yl)methyl]-3-(1H-indazol-5-yl)urea
CID 118788784
N-[(3-hydroxypiperidin-3-yl)methyl]-1-propylpyrazole-4-sulfonamide
CID 122564480
2,2,2-trichloro-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 17320825
cis-(1R,2S)-2-methyl-N-[4-(propylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 28846768
1-(4-fluorophenyl)-N-[4-(propylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 34175638
1-[[4-(propylsulfamoyl)anilino]methyl]cyclopropane-1-carboxylic acid
CID 115450505

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxypiperidin-3-yl)methyl]-3-[4-(propylsulfamoyl)phenyl]urea?
The IUPAC name of 1-[(3-hydroxypiperidin-3-yl)methyl]-3-[4-(propylsulfamoyl)phenyl]urea (CID 118771640) is 1-[(3-hydroxypiperidin-3-yl)methyl]-3-[4-(propylsulfamoyl)phenyl]urea.
What is the SMILES notation for 1-[(3-hydroxypiperidin-3-yl)methyl]-3-[4-(propylsulfamoyl)phenyl]urea?
The canonical SMILES for 1-[(3-hydroxypiperidin-3-yl)methyl]-3-[4-(propylsulfamoyl)phenyl]urea is CCCNS(=O)(=O)c1ccc(NC(=O)NCC2(O)CCCNC2)cc1.
What is the InChIKey of 1-[(3-hydroxypiperidin-3-yl)methyl]-3-[4-(propylsulfamoyl)phenyl]urea?
The InChIKey is YMJVQDLASPXEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-2-9-19-25(23,24)14-6-4-13(5-7-14)20-15(21)18-12-16(22)8-3-10-17-11-16/h4-7,17,19,22H,2-3,8-12H2,1H3,(H2,18,20,21).
What are the key properties of 1-[(3-hydroxypiperidin-3-yl)methyl]-3-[4-(propylsulfamoyl)phenyl]urea?
1-[(3-hydroxypiperidin-3-yl)methyl]-3-[4-(propylsulfamoyl)phenyl]urea has a molecular weight of 370.48 g/mol, XLogP of 0.61, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxypiperidin-3-yl)methyl]-3-[4-(propylsulfamoyl)phenyl]urea is sourced from PubChem (CID 118771640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).