3-amino-N-[3-(methanesulfonamido)propyl]-3-phenylpropanamide

C13H21N3O3S — CID 103823697

IUPAC3-amino-N-[3-(methanesulfonamido)propyl]-3-phenylpropanamide
SMILESCS(=O)(=O)NCCCNC(=O)CC(N)c1ccccc1
InChIInChI=1S/C13H21N3O3S/c1-20(18,19)16-9-5-8-15-13(17)10-12(14)11-6-3-2-4-7-11/h2-4,6-7,12,16H,5,8-10,14H2,1H3,(H,15,17)
InChIKeyLDNYAMQVWZEZOC-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.13
Rot. Bonds8

About 3-amino-N-[3-(methanesulfonamido)propyl]-3-phenylpropanamide

3-amino-N-[3-(methanesulfonamido)propyl]-3-phenylpropanamide (PubChem CID 103823697) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-amino-N-[3-(methanesulfonamido)propyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[3-(methanesulfonamido)propyl]-3-phenylpropanamide
PubChem CID103823697
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name3-amino-N-[3-(methanesulfonamido)propyl]-3-phenylpropanamide
SMILESCS(=O)(=O)NCCCNC(=O)CC(N)c1ccccc1
InChIInChI=1S/C13H21N3O3S/c1-20(18,19)16-9-5-8-15-13(17)10-12(14)11-6-3-2-4-7-11/h2-4,6-7,12,16H,5,8-10,14H2,1H3,(H,15,17)
InChIKeyLDNYAMQVWZEZOC-UHFFFAOYSA-N
XLogP0.13
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.13
H-Bond Donors ≤ 53
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-[2-(ethylsulfonylamino)ethyl]-3-phenylpropanamide
CID 119949886
4-[(3-amino-3-phenylpropanoyl)amino]butanamide
CID 60865046
5-[(3-amino-3-phenylpropanoyl)amino]-2-methylpentanoic acid
CID 115867289
3-amino-N-(3-anilinopropyl)-3-phenylpropanamide;dihydrochloride
CID 119953482
3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-phenylpropanamide
CID 119950039
3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide
CID 119951271
3-amino-N-(3-benzylsulfonylpropyl)-3-phenylpropanamide
CID 119950005
3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-phenylpropanamide;hydrochloride
CID 119950038
3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide
CID 119953159
3-amino-N-[3-(2-methoxyethoxy)propyl]-3-phenylpropanamide
CID 61275597
3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide;hydrochloride
CID 119951270
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-phenylpropanamide
CID 24694165

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(methanesulfonamido)propyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[3-(methanesulfonamido)propyl]-3-phenylpropanamide (CID 103823697) is 3-amino-N-[3-(methanesulfonamido)propyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[3-(methanesulfonamido)propyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[3-(methanesulfonamido)propyl]-3-phenylpropanamide is CS(=O)(=O)NCCCNC(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[3-(methanesulfonamido)propyl]-3-phenylpropanamide?
The InChIKey is LDNYAMQVWZEZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-20(18,19)16-9-5-8-15-13(17)10-12(14)11-6-3-2-4-7-11/h2-4,6-7,12,16H,5,8-10,14H2,1H3,(H,15,17).
What are the key properties of 3-amino-N-[3-(methanesulfonamido)propyl]-3-phenylpropanamide?
3-amino-N-[3-(methanesulfonamido)propyl]-3-phenylpropanamide has a molecular weight of 299.40 g/mol, XLogP of 0.13, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(methanesulfonamido)propyl]-3-phenylpropanamide is sourced from PubChem (CID 103823697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).