4-(3-butyl-5-ethyl-2-iminoimidazolidin-1-yl)sulfonylaniline

C15H24N4O2S — CID 154087086

IUPAC4-(3-butyl-5-ethyl-2-iminoimidazolidin-1-yl)sulfonylaniline
SMILES[H]/N=C1\N(CCCC)CC(CC)N1S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C15H24N4O2S/c1-3-5-10-18-11-13(4-2)19(15(18)17)22(20,21)14-8-6-12(16)7-9-14/h6-9,13,17H,3-5,10-11,16H2,1-2H3/b17-15+
InChIKeyOSONKFCDDMNGKI-BMRADRMJSA-N
MW324.45 g/mol
LogP2.09
Rot. Bonds6

About 4-(3-butyl-5-ethyl-2-iminoimidazolidin-1-yl)sulfonylaniline

4-(3-butyl-5-ethyl-2-iminoimidazolidin-1-yl)sulfonylaniline (PubChem CID 154087086) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-(3-butyl-5-ethyl-2-iminoimidazolidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name4-(3-butyl-5-ethyl-2-iminoimidazolidin-1-yl)sulfonylaniline
PubChem CID154087086
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name4-(3-butyl-5-ethyl-2-iminoimidazolidin-1-yl)sulfonylaniline
SMILES[H]/N=C1\N(CCCC)CC(CC)N1S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C15H24N4O2S/c1-3-5-10-18-11-13(4-2)19(15(18)17)22(20,21)14-8-6-12(16)7-9-14/h6-9,13,17H,3-5,10-11,16H2,1-2H3/b17-15+
InChIKeyOSONKFCDDMNGKI-BMRADRMJSA-N
XLogP2.09
TPSA90.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-butyl-5-ethyl-2-iminoimidazolidin-1-yl)sulfonylaniline?
The IUPAC name of 4-(3-butyl-5-ethyl-2-iminoimidazolidin-1-yl)sulfonylaniline (CID 154087086) is 4-(3-butyl-5-ethyl-2-iminoimidazolidin-1-yl)sulfonylaniline.
What is the SMILES notation for 4-(3-butyl-5-ethyl-2-iminoimidazolidin-1-yl)sulfonylaniline?
The canonical SMILES for 4-(3-butyl-5-ethyl-2-iminoimidazolidin-1-yl)sulfonylaniline is [H]/N=C1\N(CCCC)CC(CC)N1S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-(3-butyl-5-ethyl-2-iminoimidazolidin-1-yl)sulfonylaniline?
The InChIKey is OSONKFCDDMNGKI-BMRADRMJSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-3-5-10-18-11-13(4-2)19(15(18)17)22(20,21)14-8-6-12(16)7-9-14/h6-9,13,17H,3-5,10-11,16H2,1-2H3/b17-15+.
What are the key properties of 4-(3-butyl-5-ethyl-2-iminoimidazolidin-1-yl)sulfonylaniline?
4-(3-butyl-5-ethyl-2-iminoimidazolidin-1-yl)sulfonylaniline has a molecular weight of 324.45 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-butyl-5-ethyl-2-iminoimidazolidin-1-yl)sulfonylaniline is sourced from PubChem (CID 154087086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).