3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea

C15H26N4O3S — CID 95614918

IUPAC3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea
SMILESCCN(CC)S(=O)(=O)CCNC(=O)N(C)[C@@H](C)c1ccccn1
InChIInChI=1S/C15H26N4O3S/c1-5-19(6-2)23(21,22)12-11-17-15(20)18(4)13(3)14-9-7-8-10-16-14/h7-10,13H,5-6,11-12H2,1-4H3,(H,17,20)/t13-/m0/s1
InChIKeyAGXMCBNZWSRNGX-ZDUSSCGKSA-N
MW342.47 g/mol
LogP1.46
Rot. Bonds8

About 3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea

3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea (PubChem CID 95614918) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is 3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea.

Molecular Properties

Compound Name3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea
PubChem CID95614918
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Name3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea
SMILESCCN(CC)S(=O)(=O)CCNC(=O)N(C)[C@@H](C)c1ccccn1
InChIInChI=1S/C15H26N4O3S/c1-5-19(6-2)23(21,22)12-11-17-15(20)18(4)13(3)14-9-7-8-10-16-14/h7-10,13H,5-6,11-12H2,1-4H3,(H,17,20)/t13-/m0/s1
InChIKeyAGXMCBNZWSRNGX-ZDUSSCGKSA-N
XLogP1.46
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1-[(1R)-1-pyridin-2-ylethyl]-3-[3-(triazol-1-yl)propyl]urea
CID 124616805
1-methyl-3-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea
CID 86861444
1-methyl-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1-(1-pyridin-2-ylethyl)urea
CID 86862939
N,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 163258537
2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 96555130
3-[[(2R)-1-ethylpiperidin-2-yl]methyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea
CID 96516588
3-[(4-fluoro-3-methylphenyl)methyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea
CID 86861279
1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea
CID 86861386
1-methyl-3-[[3-(phenoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea
CID 86861427
3-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea
CID 86867437
(2R)-2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 124590926
N-ethyl-N-(2-methylsulfonylethyl)-1-pyridin-2-ylethanamine
CID 84590033

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea?
The IUPAC name of 3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea (CID 95614918) is 3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea.
What is the SMILES notation for 3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea?
The canonical SMILES for 3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea is CCN(CC)S(=O)(=O)CCNC(=O)N(C)[C@@H](C)c1ccccn1.
What is the InChIKey of 3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea?
The InChIKey is AGXMCBNZWSRNGX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-5-19(6-2)23(21,22)12-11-17-15(20)18(4)13(3)14-9-7-8-10-16-14/h7-10,13H,5-6,11-12H2,1-4H3,(H,17,20)/t13-/m0/s1.
What are the key properties of 3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea?
3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea has a molecular weight of 342.47 g/mol, XLogP of 1.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylsulfamoyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-2-ylethyl]urea is sourced from PubChem (CID 95614918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).