2-(ethylamino)-N-(2-prop-2-ynylsulfanylethyl)acetamide

C9H16N2OS — CID 106427755

IUPAC2-(ethylamino)-N-(2-prop-2-ynylsulfanylethyl)acetamide
SMILESC#CCSCCNC(=O)CNCC
InChIInChI=1S/C9H16N2OS/c1-3-6-13-7-5-11-9(12)8-10-4-2/h1,10H,4-8H2,2H3,(H,11,12)
InChIKeyGCMBISAFSIURNK-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.08
Rot. Bonds7

About 2-(ethylamino)-N-(2-prop-2-ynylsulfanylethyl)acetamide

2-(ethylamino)-N-(2-prop-2-ynylsulfanylethyl)acetamide (PubChem CID 106427755) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 2-(ethylamino)-N-(2-prop-2-ynylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(2-prop-2-ynylsulfanylethyl)acetamide
PubChem CID106427755
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name2-(ethylamino)-N-(2-prop-2-ynylsulfanylethyl)acetamide
SMILESC#CCSCCNC(=O)CNCC
InChIInChI=1S/C9H16N2OS/c1-3-6-13-7-5-11-9(12)8-10-4-2/h1,10H,4-8H2,2H3,(H,11,12)
InChIKeyGCMBISAFSIURNK-UHFFFAOYSA-N
XLogP0.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
CID 106310997
N-pentan-3-yl-2-(2-prop-2-ynylsulfanylethylamino)acetamide
CID 106428897
3-amino-3-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide
CID 106428040
2-bromo-N-(2-prop-2-ynylsulfanylethyl)butanamide
CID 106427093
2-piperidin-4-ylsulfanyl-N-(2-prop-2-ynylsulfanylethyl)acetamide
CID 114187551
2-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)acetamide
CID 106427974
N-ethyl-2-(2-prop-2-ynylsulfanylethylamino)propanamide
CID 106428869
2-[methyl(2-prop-2-ynylsulfanylethylcarbamoyl)amino]butanoic acid
CID 106430930
N-(2-prop-2-ynylsulfanylethyl)prop-2-enamide
CID 106427081
2-(aminomethyl)-2-methyl-N-(2-prop-2-ynylsulfanylethyl)butanamide
CID 106427791
2-methyl-3-(methylamino)-N-(2-prop-2-ynylsulfanylethyl)propanamide
CID 106427911
2-amino-N-(2-prop-2-ynylsulfanylethyl)hexanamide
CID 103950288

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(2-prop-2-ynylsulfanylethyl)acetamide?
The IUPAC name of 2-(ethylamino)-N-(2-prop-2-ynylsulfanylethyl)acetamide (CID 106427755) is 2-(ethylamino)-N-(2-prop-2-ynylsulfanylethyl)acetamide.
What is the SMILES notation for 2-(ethylamino)-N-(2-prop-2-ynylsulfanylethyl)acetamide?
The canonical SMILES for 2-(ethylamino)-N-(2-prop-2-ynylsulfanylethyl)acetamide is C#CCSCCNC(=O)CNCC.
What is the InChIKey of 2-(ethylamino)-N-(2-prop-2-ynylsulfanylethyl)acetamide?
The InChIKey is GCMBISAFSIURNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-3-6-13-7-5-11-9(12)8-10-4-2/h1,10H,4-8H2,2H3,(H,11,12).
What are the key properties of 2-(ethylamino)-N-(2-prop-2-ynylsulfanylethyl)acetamide?
2-(ethylamino)-N-(2-prop-2-ynylsulfanylethyl)acetamide has a molecular weight of 200.31 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(2-prop-2-ynylsulfanylethyl)acetamide is sourced from PubChem (CID 106427755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).