3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-phenylpropanamide;hydrochloride

C15H26ClN3O3S — CID 119950038

IUPAC3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-phenylpropanamide;hydrochloride
SMILESCCS(=O)(=O)N(C)CCCNC(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C15H25N3O3S.ClH/c1-3-22(20,21)18(2)11-7-10-17-15(19)12-14(16)13-8-5-4-6-9-13;/h4-6,8-9,14H,3,7,10-12,16H2,1-2H3,(H,17,19);1H
InChIKeyIHULLDPLPAFPKC-UHFFFAOYSA-N
MW363.91 g/mol
LogP1.29
Rot. Bonds9

About 3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-phenylpropanamide;hydrochloride

3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119950038) has the molecular formula C15H26ClN3O3S and a molecular weight of 363.91 g/mol. Its IUPAC name is 3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-phenylpropanamide;hydrochloride
PubChem CID119950038
Molecular FormulaC15H26ClN3O3S
Molecular Weight363.91 g/mol
Exact Mass363.14
IUPAC Name3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-phenylpropanamide;hydrochloride
SMILESCCS(=O)(=O)N(C)CCCNC(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C15H25N3O3S.ClH/c1-3-22(20,21)18(2)11-7-10-17-15(19)12-14(16)13-8-5-4-6-9-13;/h4-6,8-9,14H,3,7,10-12,16H2,1-2H3,(H,17,19);1H
InChIKeyIHULLDPLPAFPKC-UHFFFAOYSA-N
XLogP1.29
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-phenylpropanamide
CID 119950039
3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide
CID 119953159
N-[3-[methyl(methylsulfonyl)amino]propyl]-3,3-diphenylpropanamide
CID 46494113
3-amino-N-[3-(methanesulfonamido)propyl]-3-phenylpropanamide
CID 103823697
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-phenylpropanamide
CID 24694165
3-amino-N-[2-(ethylsulfonylamino)ethyl]-3-phenylpropanamide
CID 119949886
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-phenylpropanamide;dihydrochloride
CID 119953402
4-[(3-amino-3-phenylpropanoyl)amino]butanamide
CID 60865046
3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide;hydrochloride
CID 119951270
5-[(3-amino-3-phenylpropanoyl)amino]-2-methylpentanoic acid
CID 115867289
3-amino-N-(3-anilinopropyl)-3-phenylpropanamide;dihydrochloride
CID 119953482
(2S)-2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide;hydrochloride
CID 119292329

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-phenylpropanamide;hydrochloride (CID 119950038) is 3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-phenylpropanamide;hydrochloride is CCS(=O)(=O)N(C)CCCNC(=O)CC(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is IHULLDPLPAFPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S.ClH/c1-3-22(20,21)18(2)11-7-10-17-15(19)12-14(16)13-8-5-4-6-9-13;/h4-6,8-9,14H,3,7,10-12,16H2,1-2H3,(H,17,19);1H.
What are the key properties of 3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-phenylpropanamide;hydrochloride?
3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 363.91 g/mol, XLogP of 1.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119950038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).