2-(2-ethylsulfanylethylamino)-N-propan-2-ylacetamide

C9H20N2OS — CID 104668411

IUPAC2-(2-ethylsulfanylethylamino)-N-propan-2-ylacetamide
SMILESCCSCCNCC(=O)NC(C)C
InChIInChI=1S/C9H20N2OS/c1-4-13-6-5-10-7-9(12)11-8(2)3/h8,10H,4-7H2,1-3H3,(H,11,12)
InChIKeyGBVXNBYSDSPXCG-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.85
Rot. Bonds7

About 2-(2-ethylsulfanylethylamino)-N-propan-2-ylacetamide

2-(2-ethylsulfanylethylamino)-N-propan-2-ylacetamide (PubChem CID 104668411) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 2-(2-ethylsulfanylethylamino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-ethylsulfanylethylamino)-N-propan-2-ylacetamide
PubChem CID104668411
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name2-(2-ethylsulfanylethylamino)-N-propan-2-ylacetamide
SMILESCCSCCNCC(=O)NC(C)C
InChIInChI=1S/C9H20N2OS/c1-4-13-6-5-10-7-9(12)11-8(2)3/h8,10H,4-7H2,1-3H3,(H,11,12)
InChIKeyGBVXNBYSDSPXCG-UHFFFAOYSA-N
XLogP0.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-2-(propylamino)acetamide
CID 28586282
2-[2-(3-hydroxypropylsulfanyl)ethylamino]-N-pentan-2-ylacetamide
CID 114171847
2-(3-ethylsulfonylpropylamino)-N-propan-2-ylacetamide
CID 65093410
N-pentan-3-yl-2-(2-prop-2-ynylsulfanylethylamino)acetamide
CID 106428897
2-(7-methyloctylamino)-N-propan-2-ylacetamide
CID 103604939
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 28586640
3-[2-(3-hydroxypropylsulfanyl)ethylamino]-N-propan-2-ylpropanamide
CID 106310415
2-[[(2S)-2,3-dihydroxypropyl]amino]-N-propan-2-ylacetamide
CID 61142666
N-butan-2-yl-2-(3-methylsulfanylpropylamino)acetamide
CID 63964905
3-[[2-(butylamino)-2-oxoethyl]amino]-N-propan-2-ylpropanamide
CID 112685288
3-(2-ethylsulfanylethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 115647680
2-[[2-(dimethylamino)-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 43214984

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanylethylamino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-ethylsulfanylethylamino)-N-propan-2-ylacetamide (CID 104668411) is 2-(2-ethylsulfanylethylamino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-ethylsulfanylethylamino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-ethylsulfanylethylamino)-N-propan-2-ylacetamide is CCSCCNCC(=O)NC(C)C.
What is the InChIKey of 2-(2-ethylsulfanylethylamino)-N-propan-2-ylacetamide?
The InChIKey is GBVXNBYSDSPXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-4-13-6-5-10-7-9(12)11-8(2)3/h8,10H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 2-(2-ethylsulfanylethylamino)-N-propan-2-ylacetamide?
2-(2-ethylsulfanylethylamino)-N-propan-2-ylacetamide has a molecular weight of 204.34 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanylethylamino)-N-propan-2-ylacetamide is sourced from PubChem (CID 104668411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).