1-[4-(2-aminoethyl)phenyl]sulfonyl-3-propylurea

C12H19N3O3S — CID 12795529

IUPAC1-[4-(2-aminoethyl)phenyl]sulfonyl-3-propylurea
SMILESCCCNC(=O)NS(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C12H19N3O3S/c1-2-9-14-12(16)15-19(17,18)11-5-3-10(4-6-11)7-8-13/h3-6H,2,7-9,13H2,1H3,(H2,14,15,16)
InChIKeyMVCCUYURKMQWRU-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.59
Rot. Bonds6

About 1-[4-(2-aminoethyl)phenyl]sulfonyl-3-propylurea

1-[4-(2-aminoethyl)phenyl]sulfonyl-3-propylurea (PubChem CID 12795529) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)phenyl]sulfonyl-3-propylurea.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)phenyl]sulfonyl-3-propylurea
PubChem CID12795529
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name1-[4-(2-aminoethyl)phenyl]sulfonyl-3-propylurea
SMILESCCCNC(=O)NS(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C12H19N3O3S/c1-2-9-14-12(16)15-19(17,18)11-5-3-10(4-6-11)7-8-13/h3-6H,2,7-9,13H2,1H3,(H2,14,15,16)
InChIKeyMVCCUYURKMQWRU-UHFFFAOYSA-N
XLogP0.59
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-aminophenyl)sulfonyl-3-propylurea
CID 71447062
2-[[4-(2-aminoethyl)phenyl]sulfonylamino]-N-propylpropanamide
CID 79185012
1-[4-(2-aminoethyl)phenyl]sulfonyl-3-hexan-3-ylurea
CID 142963691
1-(4-aminophenyl)sulfonyl-3-pentylurea
CID 40714265
3-amino-N-[4-(2-aminoethyl)phenyl]sulfonylpropanamide
CID 110839421
1-(4-aminophenyl)sulfonyl-3-ethylurea
CID 116645895
1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-ethyl-5-methylphenyl)ethyl]urea
CID 174454589
N-[4-(2-aminoethyl)phenyl]sulfonyl-2,2,2-trichloroacetamide
CID 110839455
4-(2-aminoethyl)-N-ethylbenzenesulfonamide
CID 16643231
1-(4-chlorophenyl)sulfonyl-3-hexylurea
CID 119056344
zinc 1-butyl-3-(4-methylphenyl)sulfonylurea
CID 54606239
1-[4-(aminomethyl)phenyl]sulfonyl-3-[2-(2-chloro-6-ethylphenyl)ethyl]urea
CID 174454675

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)phenyl]sulfonyl-3-propylurea?
The IUPAC name of 1-[4-(2-aminoethyl)phenyl]sulfonyl-3-propylurea (CID 12795529) is 1-[4-(2-aminoethyl)phenyl]sulfonyl-3-propylurea.
What is the SMILES notation for 1-[4-(2-aminoethyl)phenyl]sulfonyl-3-propylurea?
The canonical SMILES for 1-[4-(2-aminoethyl)phenyl]sulfonyl-3-propylurea is CCCNC(=O)NS(=O)(=O)c1ccc(CCN)cc1.
What is the InChIKey of 1-[4-(2-aminoethyl)phenyl]sulfonyl-3-propylurea?
The InChIKey is MVCCUYURKMQWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-2-9-14-12(16)15-19(17,18)11-5-3-10(4-6-11)7-8-13/h3-6H,2,7-9,13H2,1H3,(H2,14,15,16).
What are the key properties of 1-[4-(2-aminoethyl)phenyl]sulfonyl-3-propylurea?
1-[4-(2-aminoethyl)phenyl]sulfonyl-3-propylurea has a molecular weight of 285.37 g/mol, XLogP of 0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethyl)phenyl]sulfonyl-3-propylurea is sourced from PubChem (CID 12795529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).