2-(4-aminobutylsulfonylamino)-N-(2-methylpropyl)propanamide

C11H25N3O3S — CID 113406861

IUPAC2-(4-aminobutylsulfonylamino)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NS(=O)(=O)CCCCN
InChIInChI=1S/C11H25N3O3S/c1-9(2)8-13-11(15)10(3)14-18(16,17)7-5-4-6-12/h9-10,14H,4-8,12H2,1-3H3,(H,13,15)
InChIKeyFACUNBGVIHIDBS-UHFFFAOYSA-N
MW279.41 g/mol
LogP-0.19
Rot. Bonds9

About 2-(4-aminobutylsulfonylamino)-N-(2-methylpropyl)propanamide

2-(4-aminobutylsulfonylamino)-N-(2-methylpropyl)propanamide (PubChem CID 113406861) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-(4-aminobutylsulfonylamino)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(4-aminobutylsulfonylamino)-N-(2-methylpropyl)propanamide
PubChem CID113406861
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC Name2-(4-aminobutylsulfonylamino)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NS(=O)(=O)CCCCN
InChIInChI=1S/C11H25N3O3S/c1-9(2)8-13-11(15)10(3)14-18(16,17)7-5-4-6-12/h9-10,14H,4-8,12H2,1-3H3,(H,13,15)
InChIKeyFACUNBGVIHIDBS-UHFFFAOYSA-N
XLogP-0.19
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 5-0.19
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

2-(3-aminopropylsulfonylamino)-N-ethylpropanamide
CID 61480140
2-(4-aminobutylsulfonyl)-N-(2-methylpropyl)acetamide
CID 82180307
2-(4-aminobutylsulfonylamino)-N-ethyl-N-methylpropanamide
CID 103108271
N-[(2R)-2-hydroxypropyl]-2-(propylsulfonylamino)propanamide
CID 83032343
6-amino-N-(2-methylpropyl)hexanamide
CID 24696940
(2S)-2-hydroxy-3-[2-(propylsulfonylamino)propanoylamino]propanoic acid
CID 107833554
N-(2-hydroxyethyl)-2-(propylsulfonylamino)propanamide
CID 43416219
4-amino-N-(1-methoxypropan-2-yl)butane-1-sulfonamide
CID 61456565
4-amino-N-[1-(dimethylamino)propan-2-yl]butane-1-sulfonamide
CID 82945449
2-(2-chloroethylsulfonylamino)-N-propylpropanamide
CID 107651325
(2S)-2-[[(2S)-2-(4-aminobutylsulfonylamino)-4-methylpentanoyl]amino]-3-phenylpropanoic acid
CID 139797469
1-(3-aminopropyl)-3-(2-methylpropyl)urea
CID 117235685

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutylsulfonylamino)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(4-aminobutylsulfonylamino)-N-(2-methylpropyl)propanamide (CID 113406861) is 2-(4-aminobutylsulfonylamino)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(4-aminobutylsulfonylamino)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(4-aminobutylsulfonylamino)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)NS(=O)(=O)CCCCN.
What is the InChIKey of 2-(4-aminobutylsulfonylamino)-N-(2-methylpropyl)propanamide?
The InChIKey is FACUNBGVIHIDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-9(2)8-13-11(15)10(3)14-18(16,17)7-5-4-6-12/h9-10,14H,4-8,12H2,1-3H3,(H,13,15).
What are the key properties of 2-(4-aminobutylsulfonylamino)-N-(2-methylpropyl)propanamide?
2-(4-aminobutylsulfonylamino)-N-(2-methylpropyl)propanamide has a molecular weight of 279.41 g/mol, XLogP of -0.19, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutylsulfonylamino)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 113406861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).