2-(2-aminoethylsulfonyl)-N-pentylpropanamide

C10H22N2O3S — CID 81175397

IUPAC2-(2-aminoethylsulfonyl)-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)S(=O)(=O)CCN
InChIInChI=1S/C10H22N2O3S/c1-3-4-5-7-12-10(13)9(2)16(14,15)8-6-11/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeyOVRWZPNPMZAUAP-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.05
Rot. Bonds8

About 2-(2-aminoethylsulfonyl)-N-pentylpropanamide

2-(2-aminoethylsulfonyl)-N-pentylpropanamide (PubChem CID 81175397) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-(2-aminoethylsulfonyl)-N-pentylpropanamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfonyl)-N-pentylpropanamide
PubChem CID81175397
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name2-(2-aminoethylsulfonyl)-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)S(=O)(=O)CCN
InChIInChI=1S/C10H22N2O3S/c1-3-4-5-7-12-10(13)9(2)16(14,15)8-6-11/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeyOVRWZPNPMZAUAP-UHFFFAOYSA-N
XLogP0.05
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-aminoethylsulfonyl)-N-pentylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-oxo-1-(pentylamino)propan-2-yl]sulfonylpropanoic acid
CID 43117094
5-amino-2-methyl-N-pentylpentanamide
CID 104683456
1-(2-aminoethyl)-3-pentylurea
CID 87091814
(2S)-3-amino-N-hexyl-2-methylpropanamide
CID 166872434
1-(4-aminobutyl)-3-[4-(hexadecylcarbamoylamino)butyl]urea
CID 101384576
1-(3-aminopropyl)-3-octadecylurea
CID 54170703
2,3-diamino-N-octadecylpropanamide
CID 158457421
(2S,3S)-3-amino-2-hydroxy-N-octylbutanamide
CID 141156692
(2S,3R,4S,5R)-N-(11-aminoundecyl)-2,3,4,5-tetrahydroxy-N'-pentylhexanediamide
CID 157386575
3-amino-3-hydroxyimino-2-methyl-N-pentylpropanamide
CID 76925594
2-(2-aminoethylsulfonyl)-N-butylacetamide
CID 79015229
(2S)-2-amino-3-methyl-N-pentylpentanamide
CID 22690936

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfonyl)-N-pentylpropanamide?
The IUPAC name of 2-(2-aminoethylsulfonyl)-N-pentylpropanamide (CID 81175397) is 2-(2-aminoethylsulfonyl)-N-pentylpropanamide.
What is the SMILES notation for 2-(2-aminoethylsulfonyl)-N-pentylpropanamide?
The canonical SMILES for 2-(2-aminoethylsulfonyl)-N-pentylpropanamide is CCCCCNC(=O)C(C)S(=O)(=O)CCN.
What is the InChIKey of 2-(2-aminoethylsulfonyl)-N-pentylpropanamide?
The InChIKey is OVRWZPNPMZAUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-3-4-5-7-12-10(13)9(2)16(14,15)8-6-11/h9H,3-8,11H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-aminoethylsulfonyl)-N-pentylpropanamide?
2-(2-aminoethylsulfonyl)-N-pentylpropanamide has a molecular weight of 250.36 g/mol, XLogP of 0.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfonyl)-N-pentylpropanamide is sourced from PubChem (CID 81175397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).