2-(3-aminopropylsulfonylamino)-N-ethylpropanamide

C8H19N3O3S — CID 61480140

IUPAC2-(3-aminopropylsulfonylamino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)NS(=O)(=O)CCCN
InChIInChI=1S/C8H19N3O3S/c1-3-10-8(12)7(2)11-15(13,14)6-4-5-9/h7,11H,3-6,9H2,1-2H3,(H,10,12)
InChIKeyNDRUKPXECAELSU-UHFFFAOYSA-N
MW237.32 g/mol
LogP-1.22
Rot. Bonds7

About 2-(3-aminopropylsulfonylamino)-N-ethylpropanamide

2-(3-aminopropylsulfonylamino)-N-ethylpropanamide (PubChem CID 61480140) has the molecular formula C8H19N3O3S and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-(3-aminopropylsulfonylamino)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(3-aminopropylsulfonylamino)-N-ethylpropanamide
PubChem CID61480140
Molecular FormulaC8H19N3O3S
Molecular Weight237.32 g/mol
Exact Mass237.11
IUPAC Name2-(3-aminopropylsulfonylamino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)NS(=O)(=O)CCCN
InChIInChI=1S/C8H19N3O3S/c1-3-10-8(12)7(2)11-15(13,14)6-4-5-9/h7,11H,3-6,9H2,1-2H3,(H,10,12)
InChIKeyNDRUKPXECAELSU-UHFFFAOYSA-N
XLogP-1.22
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminobutylsulfonylamino)-N-(2-methylpropyl)propanamide
CID 113406861
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-N-ethylpropanamide
CID 54952297
N-(2-hydroxyethyl)-2-(propylsulfonylamino)propanamide
CID 43416219
2-(4-aminobutylsulfonylamino)-N-ethyl-N-methylpropanamide
CID 103108271
N-[(2R)-2-hydroxypropyl]-2-(propylsulfonylamino)propanamide
CID 83032343
2-(2-chloroethylsulfonylamino)-N-propylpropanamide
CID 107651325
5-amino-N-ethyl-2-methylpentanamide
CID 134525204
7-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]heptanamide
CID 43579253
2-(1-bicyclo[2.2.2]octanylmethylsulfonylamino)-N-ethylpropanamide
CID 127265943
(2S)-2-hydroxy-3-[2-(propylsulfonylamino)propanoylamino]propanoic acid
CID 107833554
(2R)-2-(butylsulfonylamino)propanoate
CID 2447741
3-amino-N-(1-methoxypropan-2-yl)propane-1-sulfonamide
CID 60910222

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylsulfonylamino)-N-ethylpropanamide?
The IUPAC name of 2-(3-aminopropylsulfonylamino)-N-ethylpropanamide (CID 61480140) is 2-(3-aminopropylsulfonylamino)-N-ethylpropanamide.
What is the SMILES notation for 2-(3-aminopropylsulfonylamino)-N-ethylpropanamide?
The canonical SMILES for 2-(3-aminopropylsulfonylamino)-N-ethylpropanamide is CCNC(=O)C(C)NS(=O)(=O)CCCN.
What is the InChIKey of 2-(3-aminopropylsulfonylamino)-N-ethylpropanamide?
The InChIKey is NDRUKPXECAELSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3S/c1-3-10-8(12)7(2)11-15(13,14)6-4-5-9/h7,11H,3-6,9H2,1-2H3,(H,10,12).
What are the key properties of 2-(3-aminopropylsulfonylamino)-N-ethylpropanamide?
2-(3-aminopropylsulfonylamino)-N-ethylpropanamide has a molecular weight of 237.32 g/mol, XLogP of -1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylsulfonylamino)-N-ethylpropanamide is sourced from PubChem (CID 61480140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).