2-(3-aminobutylsulfinyl)-N-(3-methoxypropyl)propanamide

C11H24N2O3S — CID 81193999

IUPAC2-(3-aminobutylsulfinyl)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)S(=O)CCC(C)N
InChIInChI=1S/C11H24N2O3S/c1-9(12)5-8-17(15)10(2)11(14)13-6-4-7-16-3/h9-10H,4-8,12H2,1-3H3,(H,13,14)
InChIKeySDKXMGARDNLENE-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.01
Rot. Bonds9

About 2-(3-aminobutylsulfinyl)-N-(3-methoxypropyl)propanamide

2-(3-aminobutylsulfinyl)-N-(3-methoxypropyl)propanamide (PubChem CID 81193999) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-(3-aminobutylsulfinyl)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-(3-aminobutylsulfinyl)-N-(3-methoxypropyl)propanamide
PubChem CID81193999
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name2-(3-aminobutylsulfinyl)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)S(=O)CCC(C)N
InChIInChI=1S/C11H24N2O3S/c1-9(12)5-8-17(15)10(2)11(14)13-6-4-7-16-3/h9-10H,4-8,12H2,1-3H3,(H,13,14)
InChIKeySDKXMGARDNLENE-UHFFFAOYSA-N
XLogP0.01
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide
CID 22690621
2-amino-5-methoxy-N-(3-methoxypropyl)pentanamide
CID 81081158
(2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide
CID 82671375
2-amino-N-(3-methoxypropyl)-4-methylpentanamide
CID 22170060
2-hydroxy-N-(3-methoxypropyl)propanamide
CID 43558715
2-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]sulfinyl-2-methylpropanoic acid
CID 81228082
2-amino-5-methoxy-N-(4-methylpentyl)pentanamide
CID 81089350
N-(4-aminopentyl)-2-methoxypropanamide
CID 106122458
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-methoxypropyl)propanamide
CID 103577229
2-amino-4-methoxy-N-(3-propan-2-yloxypropyl)butanamide
CID 62476611
2-(3-aminobutylsulfinyl)-N-(2-methylbutan-2-yl)propanamide
CID 81194611
2,2-dichloro-N-(3-methoxypropyl)acetamide
CID 3598343

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminobutylsulfinyl)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-(3-aminobutylsulfinyl)-N-(3-methoxypropyl)propanamide (CID 81193999) is 2-(3-aminobutylsulfinyl)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-(3-aminobutylsulfinyl)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-(3-aminobutylsulfinyl)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)S(=O)CCC(C)N.
What is the InChIKey of 2-(3-aminobutylsulfinyl)-N-(3-methoxypropyl)propanamide?
The InChIKey is SDKXMGARDNLENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-9(12)5-8-17(15)10(2)11(14)13-6-4-7-16-3/h9-10H,4-8,12H2,1-3H3,(H,13,14).
What are the key properties of 2-(3-aminobutylsulfinyl)-N-(3-methoxypropyl)propanamide?
2-(3-aminobutylsulfinyl)-N-(3-methoxypropyl)propanamide has a molecular weight of 264.39 g/mol, XLogP of 0.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminobutylsulfinyl)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 81193999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).