2-(3-amino-2-methylpropyl)sulfinyl-N-(2-methoxyethyl)acetamide

C9H20N2O3S — CID 81201126

IUPAC2-(3-amino-2-methylpropyl)sulfinyl-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CS(=O)CC(C)CN
InChIInChI=1S/C9H20N2O3S/c1-8(5-10)6-15(13)7-9(12)11-3-4-14-2/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeySDOVDCBGYTTZIP-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.91
Rot. Bonds8

About 2-(3-amino-2-methylpropyl)sulfinyl-N-(2-methoxyethyl)acetamide

2-(3-amino-2-methylpropyl)sulfinyl-N-(2-methoxyethyl)acetamide (PubChem CID 81201126) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-(3-amino-2-methylpropyl)sulfinyl-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-2-methylpropyl)sulfinyl-N-(2-methoxyethyl)acetamide
PubChem CID81201126
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name2-(3-amino-2-methylpropyl)sulfinyl-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CS(=O)CC(C)CN
InChIInChI=1S/C9H20N2O3S/c1-8(5-10)6-15(13)7-9(12)11-3-4-14-2/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeySDOVDCBGYTTZIP-UHFFFAOYSA-N
XLogP-0.91
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.91
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

2-(3-amino-2-methylpropyl)sulfinyl-N-propylacetamide
CID 81201708
2-(3-amino-2-methylpropyl)sulfinyl-N-(cyclopropylmethyl)acetamide
CID 81200813
N-(2-aminoethyl)-2-(2-methoxyethylsulfinyl)acetamide
CID 81328464
3-(methoxymethylsulfinyl)-2-methylpropan-1-amine
CID 81202164
2-(1-aminopropan-2-ylsulfanyl)-N-(2-methoxyethyl)acetamide
CID 66244137
2-amino-N-(2-methoxyethyl)propanamide
CID 24703832
2-(4-aminobutan-2-ylsulfinyl)-N-(2-methoxyethyl)propanamide
CID 81195351
2-hydroxy-N-(2-methoxyethyl)acetamide
CID 19987818
2-(4-aminobutan-2-ylsulfanyl)-N-(2-methoxyethyl)acetamide
CID 66229989
3-[2-(3-methoxypropylamino)-2-oxoethyl]sulfinylpropanoic acid
CID 61486758
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 115738068
2-[(5-amino-4-methylpentanoyl)amino]ethyl carbamate
CID 83210908

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylpropyl)sulfinyl-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(3-amino-2-methylpropyl)sulfinyl-N-(2-methoxyethyl)acetamide (CID 81201126) is 2-(3-amino-2-methylpropyl)sulfinyl-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(3-amino-2-methylpropyl)sulfinyl-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(3-amino-2-methylpropyl)sulfinyl-N-(2-methoxyethyl)acetamide is COCCNC(=O)CS(=O)CC(C)CN.
What is the InChIKey of 2-(3-amino-2-methylpropyl)sulfinyl-N-(2-methoxyethyl)acetamide?
The InChIKey is SDOVDCBGYTTZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-8(5-10)6-15(13)7-9(12)11-3-4-14-2/h8H,3-7,10H2,1-2H3,(H,11,12).
What are the key properties of 2-(3-amino-2-methylpropyl)sulfinyl-N-(2-methoxyethyl)acetamide?
2-(3-amino-2-methylpropyl)sulfinyl-N-(2-methoxyethyl)acetamide has a molecular weight of 236.34 g/mol, XLogP of -0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylpropyl)sulfinyl-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 81201126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).