2-amino-N-propylsulfonylpropanamide

C6H14N2O3S — CID 103307200

IUPAC2-amino-N-propylsulfonylpropanamide
SMILESCCCS(=O)(=O)NC(=O)C(C)N
InChIInChI=1S/C6H14N2O3S/c1-3-4-12(10,11)8-6(9)5(2)7/h5H,3-4,7H2,1-2H3,(H,8,9)
InChIKeyQGGBXHSZTJKLSB-UHFFFAOYSA-N
MW194.26 g/mol
LogP-0.81
Rot. Bonds4

About 2-amino-N-propylsulfonylpropanamide

2-amino-N-propylsulfonylpropanamide (PubChem CID 103307200) has the molecular formula C6H14N2O3S and a molecular weight of 194.26 g/mol. Its IUPAC name is 2-amino-N-propylsulfonylpropanamide.

Molecular Properties

Compound Name2-amino-N-propylsulfonylpropanamide
PubChem CID103307200
Molecular FormulaC6H14N2O3S
Molecular Weight194.26 g/mol
Exact Mass194.07
IUPAC Name2-amino-N-propylsulfonylpropanamide
SMILESCCCS(=O)(=O)NC(=O)C(C)N
InChIInChI=1S/C6H14N2O3S/c1-3-4-12(10,11)8-6(9)5(2)7/h5H,3-4,7H2,1-2H3,(H,8,9)
InChIKeyQGGBXHSZTJKLSB-UHFFFAOYSA-N
XLogP-0.81
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-methyl-N-propylsulfonylbutanamide
CID 103307653
2-amino-N-[2-(ethylsulfamoyl)ethyl]propanamide
CID 103796449
3-amino-2-methoxy-N-propylsulfonylpropanamide
CID 106114069
2-amino-N-propylpropanamide;ethane
CID 142837247
(2S)-2-amino-N-butylpropan(15N)amide
CID 158456310
(2S)-2-amino-N-butyl(113C)propanamide
CID 157365112
3-(2-aminopropanoylamino)-3,3-dideuteriopropane-1-sulfonic acid
CID 175355008
(2S)-2-(propylsulfonylamino)propanoic acid
CID 7130952
(2S)-2-amino-N-[2-[[(2S)-2-aminopropanoyl]amino]ethyl]propanamide;dihydrochloride
CID 18651575
(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]propanamide
CID 106337421
(2S)-2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide;hydrochloride
CID 119292329
(3S)-3-(aminomethyl)-5-methyl-N-propylsulfonylhexanamide
CID 103307564

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-propylsulfonylpropanamide?
The IUPAC name of 2-amino-N-propylsulfonylpropanamide (CID 103307200) is 2-amino-N-propylsulfonylpropanamide.
What is the SMILES notation for 2-amino-N-propylsulfonylpropanamide?
The canonical SMILES for 2-amino-N-propylsulfonylpropanamide is CCCS(=O)(=O)NC(=O)C(C)N.
What is the InChIKey of 2-amino-N-propylsulfonylpropanamide?
The InChIKey is QGGBXHSZTJKLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O3S/c1-3-4-12(10,11)8-6(9)5(2)7/h5H,3-4,7H2,1-2H3,(H,8,9).
What are the key properties of 2-amino-N-propylsulfonylpropanamide?
2-amino-N-propylsulfonylpropanamide has a molecular weight of 194.26 g/mol, XLogP of -0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-propylsulfonylpropanamide is sourced from PubChem (CID 103307200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).