1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-sulfamoylphenyl)urea

C16H26N4O3S — CID 55820095

IUPAC1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-sulfamoylphenyl)urea
SMILESCC1CC(C)CN(CCNC(=O)Nc2cccc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C16H26N4O3S/c1-12-8-13(2)11-20(10-12)7-6-18-16(21)19-14-4-3-5-15(9-14)24(17,22)23/h3-5,9,12-13H,6-8,10-11H2,1-2H3,(H2,17,22,23)(H2,18,19,21)
InChIKeyFZZYFRMJMNXECV-UHFFFAOYSA-N
MW354.48 g/mol
LogP1.43
Rot. Bonds5

About 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-sulfamoylphenyl)urea

1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-sulfamoylphenyl)urea (PubChem CID 55820095) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-sulfamoylphenyl)urea
PubChem CID55820095
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-sulfamoylphenyl)urea
SMILESCC1CC(C)CN(CCNC(=O)Nc2cccc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C16H26N4O3S/c1-12-8-13(2)11-20(10-12)7-6-18-16(21)19-14-4-3-5-15(9-14)24(17,22)23/h3-5,9,12-13H,6-8,10-11H2,1-2H3,(H2,17,22,23)(H2,18,19,21)
InChIKeyFZZYFRMJMNXECV-UHFFFAOYSA-N
XLogP1.43
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[1-(3-sulfamoylphenyl)ethyl]urea
CID 55743624
2-methyl-N-(3-sulfamoylphenyl)cyclopropane-1-carboxamide
CID 47101138
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(3-sulfamoylphenyl)acetamide
CID 7810409
1-(3-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea
CID 42886916
(3S)-3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide
CID 38150508
3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide
CID 47185999
1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-ethylphenyl)urea
CID 51944777
1-(3-methylphenyl)-3-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]urea
CID 47848806
1-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(2-methoxyphenyl)urea
CID 51952440
N-[3-(diethylsulfamoyl)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930625
1-benzyl-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]urea
CID 51952341
1-(3-sulfamoylphenyl)-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 167748185

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-sulfamoylphenyl)urea?
The IUPAC name of 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-sulfamoylphenyl)urea (CID 55820095) is 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-sulfamoylphenyl)urea.
What is the SMILES notation for 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-sulfamoylphenyl)urea?
The canonical SMILES for 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-sulfamoylphenyl)urea is CC1CC(C)CN(CCNC(=O)Nc2cccc(S(N)(=O)=O)c2)C1.
What is the InChIKey of 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-sulfamoylphenyl)urea?
The InChIKey is FZZYFRMJMNXECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-12-8-13(2)11-20(10-12)7-6-18-16(21)19-14-4-3-5-15(9-14)24(17,22)23/h3-5,9,12-13H,6-8,10-11H2,1-2H3,(H2,17,22,23)(H2,18,19,21).
What are the key properties of 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-sulfamoylphenyl)urea?
1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-sulfamoylphenyl)urea has a molecular weight of 354.48 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(3-sulfamoylphenyl)urea is sourced from PubChem (CID 55820095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).