2-[4-(2-imino-5-methyl-3-propylimidazolidin-1-yl)sulfonylphenyl]ethanamine;dihydrochloride

C15H26Cl2N4O2S — CID 159216256

IUPAC2-[4-(2-imino-5-methyl-3-propylimidazolidin-1-yl)sulfonylphenyl]ethanamine;dihydrochloride
SMILESCl.Cl.[H]/N=C1\N(CCC)CC(C)N1S(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C15H24N4O2S.2ClH/c1-3-10-18-11-12(2)19(15(18)17)22(20,21)14-6-4-13(5-7-14)8-9-16;;/h4-7,12,17H,3,8-11,16H2,1-2H3;2*1H/b17-15+;;
InChIKeyKRCLYFSUYKGUDP-UVVJDXDRSA-N
MW397.37 g/mol
LogP2.07
Rot. Bonds6

About 2-[4-(2-imino-5-methyl-3-propylimidazolidin-1-yl)sulfonylphenyl]ethanamine;dihydrochloride

2-[4-(2-imino-5-methyl-3-propylimidazolidin-1-yl)sulfonylphenyl]ethanamine;dihydrochloride (PubChem CID 159216256) has the molecular formula C15H26Cl2N4O2S and a molecular weight of 397.37 g/mol. Its IUPAC name is 2-[4-(2-imino-5-methyl-3-propylimidazolidin-1-yl)sulfonylphenyl]ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-[4-(2-imino-5-methyl-3-propylimidazolidin-1-yl)sulfonylphenyl]ethanamine;dihydrochloride
PubChem CID159216256
Molecular FormulaC15H26Cl2N4O2S
Molecular Weight397.37 g/mol
Exact Mass396.12
IUPAC Name2-[4-(2-imino-5-methyl-3-propylimidazolidin-1-yl)sulfonylphenyl]ethanamine;dihydrochloride
SMILESCl.Cl.[H]/N=C1\N(CCC)CC(C)N1S(=O)(=O)c1ccc(CCN)cc1
InChIInChI=1S/C15H24N4O2S.2ClH/c1-3-10-18-11-12(2)19(15(18)17)22(20,21)14-6-4-13(5-7-14)8-9-16;;/h4-7,12,17H,3,8-11,16H2,1-2H3;2*1H/b17-15+;;
InChIKeyKRCLYFSUYKGUDP-UVVJDXDRSA-N
XLogP2.07
TPSA90.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(2-imino-5-methyl-3-propylimidazolidin-1-yl)sulfonylphenyl]ethanamine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-butyl-5-ethyl-2-iminoimidazolidin-1-yl)sulfonylaniline
CID 154087086
3-(benzenesulfonyl)-4-methyl-1-propylimidazolidin-2-one
CID 15418833
2-[4-[2-imino-3-(3-methylpentan-2-yl)imidazolidin-1-yl]sulfonylphenyl]ethanamine
CID 159747718
2-[4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine
CID 63621930
2-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamine;hydrochloride
CID 53229799
3-[4-(3-tert-butyl-2-iminoimidazolidin-1-yl)sulfonylphenyl]propan-1-amine;dihydrochloride
CID 161393861
4-methyl-1-(4-propylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120585465
2-(4-methylsulfonylphenyl)ethanamine chloride
CID 20849935
2-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375823
4-[4-(2-aminoethyl)phenyl]sulfonyl-3-methylpiperazine-2,6-dione
CID 66075834
4-[4-(2-aminoethyl)phenyl]sulfonyl-3-methylpiperazin-2-one
CID 63606437
3,5-dimethyl-1-(4-propylphenyl)sulfonylpiperazine
CID 63871954

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-imino-5-methyl-3-propylimidazolidin-1-yl)sulfonylphenyl]ethanamine;dihydrochloride?
The IUPAC name of 2-[4-(2-imino-5-methyl-3-propylimidazolidin-1-yl)sulfonylphenyl]ethanamine;dihydrochloride (CID 159216256) is 2-[4-(2-imino-5-methyl-3-propylimidazolidin-1-yl)sulfonylphenyl]ethanamine;dihydrochloride.
What is the SMILES notation for 2-[4-(2-imino-5-methyl-3-propylimidazolidin-1-yl)sulfonylphenyl]ethanamine;dihydrochloride?
The canonical SMILES for 2-[4-(2-imino-5-methyl-3-propylimidazolidin-1-yl)sulfonylphenyl]ethanamine;dihydrochloride is Cl.Cl.[H]/N=C1\N(CCC)CC(C)N1S(=O)(=O)c1ccc(CCN)cc1.
What is the InChIKey of 2-[4-(2-imino-5-methyl-3-propylimidazolidin-1-yl)sulfonylphenyl]ethanamine;dihydrochloride?
The InChIKey is KRCLYFSUYKGUDP-UVVJDXDRSA-N. The full InChI is InChI=1S/C15H24N4O2S.2ClH/c1-3-10-18-11-12(2)19(15(18)17)22(20,21)14-6-4-13(5-7-14)8-9-16;;/h4-7,12,17H,3,8-11,16H2,1-2H3;2*1H/b17-15+;;.
What are the key properties of 2-[4-(2-imino-5-methyl-3-propylimidazolidin-1-yl)sulfonylphenyl]ethanamine;dihydrochloride?
2-[4-(2-imino-5-methyl-3-propylimidazolidin-1-yl)sulfonylphenyl]ethanamine;dihydrochloride has a molecular weight of 397.37 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-imino-5-methyl-3-propylimidazolidin-1-yl)sulfonylphenyl]ethanamine;dihydrochloride is sourced from PubChem (CID 159216256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).