2-(4-aminobutan-2-ylsulfinyl)-N-(2-methoxyethyl)propanamide

C10H22N2O3S — CID 81195351

IUPAC2-(4-aminobutan-2-ylsulfinyl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)S(=O)C(C)CCN
InChIInChI=1S/C10H22N2O3S/c1-8(4-5-11)16(14)9(2)10(13)12-6-7-15-3/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyDSUFJHRHWDQZFD-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.38
Rot. Bonds8

About 2-(4-aminobutan-2-ylsulfinyl)-N-(2-methoxyethyl)propanamide

2-(4-aminobutan-2-ylsulfinyl)-N-(2-methoxyethyl)propanamide (PubChem CID 81195351) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-(4-aminobutan-2-ylsulfinyl)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-(4-aminobutan-2-ylsulfinyl)-N-(2-methoxyethyl)propanamide
PubChem CID81195351
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name2-(4-aminobutan-2-ylsulfinyl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)S(=O)C(C)CCN
InChIInChI=1S/C10H22N2O3S/c1-8(4-5-11)16(14)9(2)10(13)12-6-7-15-3/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyDSUFJHRHWDQZFD-UHFFFAOYSA-N
XLogP-0.38
TPSA81.42 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 ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-aminobutan-2-ylsulfinyl)-N-(2-methoxyethyl)propanamide 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

2-amino-N-(2-methoxyethyl)propanamide
CID 24703832
2-(4-aminobutan-2-ylsulfanyl)-N-(2-methoxyethyl)acetamide
CID 66229989
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methoxyethyl)propanamide
CID 43252719
3-(3-methoxypropylsulfinyl)butan-1-amine
CID 81193382
(2S)-2-hydroxy-N-(2-methoxyethyl)butanamide
CID 118219628
2-amino-N-(2-aminoethyl)-4-methoxybutanamide
CID 62477473
N-(2-aminoethyl)-N'-(4-methoxybutan-2-yl)oxamide
CID 64601059
2-(3-aminobutylsulfinyl)-N-(3-methoxypropyl)propanamide
CID 81193999
2-(3-amino-2-methylpropyl)sulfinyl-N-(2-methoxyethyl)acetamide
CID 81201126
2-(4-aminobutan-2-ylsulfanyl)-N-(3-methoxypropyl)propanamide
CID 66229310
2-amino-3-hydroxy-N-(2-methoxyethyl)propanamide
CID 59658304
N-(2-methoxyethyl)-2-(propan-2-ylamino)propanamide
CID 43086718

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutan-2-ylsulfinyl)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-(4-aminobutan-2-ylsulfinyl)-N-(2-methoxyethyl)propanamide (CID 81195351) is 2-(4-aminobutan-2-ylsulfinyl)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-(4-aminobutan-2-ylsulfinyl)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-(4-aminobutan-2-ylsulfinyl)-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)S(=O)C(C)CCN.
What is the InChIKey of 2-(4-aminobutan-2-ylsulfinyl)-N-(2-methoxyethyl)propanamide?
The InChIKey is DSUFJHRHWDQZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-8(4-5-11)16(14)9(2)10(13)12-6-7-15-3/h8-9H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of 2-(4-aminobutan-2-ylsulfinyl)-N-(2-methoxyethyl)propanamide?
2-(4-aminobutan-2-ylsulfinyl)-N-(2-methoxyethyl)propanamide has a molecular weight of 250.36 g/mol, XLogP of -0.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutan-2-ylsulfinyl)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 81195351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).