2-(ethylamino)-2-methyl-N-(2-methylsulfanylethyl)propanamide

C9H20N2OS — CID 63958213

IUPAC2-(ethylamino)-2-methyl-N-(2-methylsulfanylethyl)propanamide
SMILESCCNC(C)(C)C(=O)NCCSC
InChIInChI=1S/C9H20N2OS/c1-5-11-9(2,3)8(12)10-6-7-13-4/h11H,5-7H2,1-4H3,(H,10,12)
InChIKeyQUSNSKGXDQHNQP-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.85
Rot. Bonds6

About 2-(ethylamino)-2-methyl-N-(2-methylsulfanylethyl)propanamide

2-(ethylamino)-2-methyl-N-(2-methylsulfanylethyl)propanamide (PubChem CID 63958213) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-N-(2-methylsulfanylethyl)propanamide.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-N-(2-methylsulfanylethyl)propanamide
PubChem CID63958213
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name2-(ethylamino)-2-methyl-N-(2-methylsulfanylethyl)propanamide
SMILESCCNC(C)(C)C(=O)NCCSC
InChIInChI=1S/C9H20N2OS/c1-5-11-9(2,3)8(12)10-6-7-13-4/h11H,5-7H2,1-4H3,(H,10,12)
InChIKeyQUSNSKGXDQHNQP-UHFFFAOYSA-N
XLogP0.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

2-(ethylamino)-2-methyl-N-octylpropanamide
CID 113337256
2-amino-2-methyl-N-(2-methylsulfanylethyl)butanamide
CID 79811350
2,2-dimethyl-3-(2-methylsulfanylethylamino)-3-oxopropanoic acid
CID 82820736
3-amino-2,2,3-trimethyl-N-(2-methylsulfanylethyl)butanamide
CID 65267164
2-(ethylamino)-N-(4-methoxybutyl)-2-methylpropanamide
CID 62834257
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(ethylamino)-2-methylpropanamide
CID 62836284
2-(ethylamino)-N-[2-(2-hydroxyethoxy)ethyl]-2-methylpropanamide
CID 62834232
2-(ethylamino)-2-methyl-N-prop-2-ynylpropanamide
CID 62832671
N-(cyanomethyl)-2-(ethylamino)-2-methylpropanamide
CID 62835754
2-(ethylamino)-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467973
N-(3-ethenoxypropyl)-2-(ethylamino)-2-methylpropanamide
CID 62837032
2-(ethylamino)-2-methyl-N-(2-methylprop-2-enyl)propanamide
CID 114617159

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-N-(2-methylsulfanylethyl)propanamide?
The IUPAC name of 2-(ethylamino)-2-methyl-N-(2-methylsulfanylethyl)propanamide (CID 63958213) is 2-(ethylamino)-2-methyl-N-(2-methylsulfanylethyl)propanamide.
What is the SMILES notation for 2-(ethylamino)-2-methyl-N-(2-methylsulfanylethyl)propanamide?
The canonical SMILES for 2-(ethylamino)-2-methyl-N-(2-methylsulfanylethyl)propanamide is CCNC(C)(C)C(=O)NCCSC.
What is the InChIKey of 2-(ethylamino)-2-methyl-N-(2-methylsulfanylethyl)propanamide?
The InChIKey is QUSNSKGXDQHNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-5-11-9(2,3)8(12)10-6-7-13-4/h11H,5-7H2,1-4H3,(H,10,12).
What are the key properties of 2-(ethylamino)-2-methyl-N-(2-methylsulfanylethyl)propanamide?
2-(ethylamino)-2-methyl-N-(2-methylsulfanylethyl)propanamide has a molecular weight of 204.34 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-N-(2-methylsulfanylethyl)propanamide is sourced from PubChem (CID 63958213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).