N-(3-aminopropyl)-2-methylsulfonyl-N-phenylpropanamide

C13H20N2O3S — CID 104517075

IUPACN-(3-aminopropyl)-2-methylsulfonyl-N-phenylpropanamide
SMILESCC(C(=O)N(CCCN)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C13H20N2O3S/c1-11(19(2,17)18)13(16)15(10-6-9-14)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10,14H2,1-2H3
InChIKeyFPGYXABKIOZTEH-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.80
Rot. Bonds6

About N-(3-aminopropyl)-2-methylsulfonyl-N-phenylpropanamide

N-(3-aminopropyl)-2-methylsulfonyl-N-phenylpropanamide (PubChem CID 104517075) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-methylsulfonyl-N-phenylpropanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-methylsulfonyl-N-phenylpropanamide
PubChem CID104517075
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-(3-aminopropyl)-2-methylsulfonyl-N-phenylpropanamide
SMILESCC(C(=O)N(CCCN)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C13H20N2O3S/c1-11(19(2,17)18)13(16)15(10-6-9-14)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10,14H2,1-2H3
InChIKeyFPGYXABKIOZTEH-UHFFFAOYSA-N
XLogP0.80
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[N-(2-methylsulfonylpropanoyl)anilino]butanoic acid
CID 104517481
N-(3-aminopropyl)-N-benzyl-2-methylsulfonylpropanamide;hydrochloride
CID 120648412
N-(3-aminopropyl)-2-ethyl-N-phenylhexanamide
CID 43135930
2-[3-aminopropyl(methyl)amino]-N-ethyl-N-phenylacetamide
CID 81494005
N-butyl-2-methyl-N-phenylpentanamide
CID 17256785
1-(3-aminopropyl)-3-butyl-1-phenylurea
CID 43135983
N-butyl-2,2-dichloro-N-phenylacetamide
CID 4539736
N-(2-aminophenyl)-N-ethyl-2-methylsulfonylpropanamide
CID 104517317
(2S)-2-amino-N-butyl-N-phenylpentanamide
CID 107569866
N-(3-aminopropyl)-N-(3-fluorophenyl)-2-methylpropanamide
CID 28767293
N-(3-aminopropyl)-2-hydroxy-N-phenylbenzamide
CID 16791949
4-(N-[(2S)-2-aminobutanoyl]anilino)butanoic acid
CID 79022828

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-methylsulfonyl-N-phenylpropanamide?
The IUPAC name of N-(3-aminopropyl)-2-methylsulfonyl-N-phenylpropanamide (CID 104517075) is N-(3-aminopropyl)-2-methylsulfonyl-N-phenylpropanamide.
What is the SMILES notation for N-(3-aminopropyl)-2-methylsulfonyl-N-phenylpropanamide?
The canonical SMILES for N-(3-aminopropyl)-2-methylsulfonyl-N-phenylpropanamide is CC(C(=O)N(CCCN)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-(3-aminopropyl)-2-methylsulfonyl-N-phenylpropanamide?
The InChIKey is FPGYXABKIOZTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-11(19(2,17)18)13(16)15(10-6-9-14)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10,14H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-2-methylsulfonyl-N-phenylpropanamide?
N-(3-aminopropyl)-2-methylsulfonyl-N-phenylpropanamide has a molecular weight of 284.38 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-methylsulfonyl-N-phenylpropanamide is sourced from PubChem (CID 104517075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).