2-(2-methoxyethylsulfanyl)-N-(2-methylprop-2-enyl)acetamide

C9H17NO2S — CID 114618631

IUPAC2-(2-methoxyethylsulfanyl)-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CNC(=O)CSCCOC
InChIInChI=1S/C9H17NO2S/c1-8(2)6-10-9(11)7-13-5-4-12-3/h1,4-7H2,2-3H3,(H,10,11)
InChIKeyYSQYWSCPMGPZAH-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.06
Rot. Bonds7

About 2-(2-methoxyethylsulfanyl)-N-(2-methylprop-2-enyl)acetamide

2-(2-methoxyethylsulfanyl)-N-(2-methylprop-2-enyl)acetamide (PubChem CID 114618631) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanyl)-N-(2-methylprop-2-enyl)acetamide
PubChem CID114618631
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name2-(2-methoxyethylsulfanyl)-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CNC(=O)CSCCOC
InChIInChI=1S/C9H17NO2S/c1-8(2)6-10-9(11)7-13-5-4-12-3/h1,4-7H2,2-3H3,(H,10,11)
InChIKeyYSQYWSCPMGPZAH-UHFFFAOYSA-N
XLogP1.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]acetyl]amino]acetic acid
CID 43465329
2-butylsulfanyl-N-(2-methylprop-2-enyl)acetamide
CID 114618404
2-[2-(2-methylprop-2-enylamino)-2-oxoethyl]sulfanylacetic acid
CID 114615305
2-(2-methoxyethylsulfanyl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102915012
N-(2-methoxyethyl)-2-(2-methylprop-2-enylamino)acetamide
CID 115574976
N-(2-hydroxy-2,4-dimethylpentyl)-2-(2-methoxyethylsulfanyl)acetamide
CID 66179365
2-(2-methoxyethylsulfanyl)acetamide;hydrochloride
CID 88501364
N-(4-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide
CID 115283379
(2S)-2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylbutanoic acid
CID 61137493
N-(1-hydroxybutan-2-yl)-2-(2-methoxyethylsulfanyl)acetamide
CID 43427721
2-(2-cyanoethylsulfanyl)-N-(2-methoxyethyl)acetamide
CID 82181436
4-ethoxy-N-(2-methylprop-2-enyl)butanamide
CID 114618597

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfanyl)-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of 2-(2-methoxyethylsulfanyl)-N-(2-methylprop-2-enyl)acetamide (CID 114618631) is 2-(2-methoxyethylsulfanyl)-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for 2-(2-methoxyethylsulfanyl)-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for 2-(2-methoxyethylsulfanyl)-N-(2-methylprop-2-enyl)acetamide is C=C(C)CNC(=O)CSCCOC.
What is the InChIKey of 2-(2-methoxyethylsulfanyl)-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is YSQYWSCPMGPZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-8(2)6-10-9(11)7-13-5-4-12-3/h1,4-7H2,2-3H3,(H,10,11).
What are the key properties of 2-(2-methoxyethylsulfanyl)-N-(2-methylprop-2-enyl)acetamide?
2-(2-methoxyethylsulfanyl)-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 203.31 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanyl)-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 114618631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).