2-ethylsulfanyl-N-(methylaminomethyl)propanamide

C7H16N2OS — CID 144683184

IUPAC2-ethylsulfanyl-N-(methylaminomethyl)propanamide
SMILESCCSC(C)C(=O)NCNC
InChIInChI=1S/C7H16N2OS/c1-4-11-6(2)7(10)9-5-8-3/h6,8H,4-5H2,1-3H3,(H,9,10)
InChIKeyQQAQLWPDNXFIIZ-UHFFFAOYSA-N
MW176.28 g/mol
LogP0.42
Rot. Bonds5

About 2-ethylsulfanyl-N-(methylaminomethyl)propanamide

2-ethylsulfanyl-N-(methylaminomethyl)propanamide (PubChem CID 144683184) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(methylaminomethyl)propanamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(methylaminomethyl)propanamide
PubChem CID144683184
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Name2-ethylsulfanyl-N-(methylaminomethyl)propanamide
SMILESCCSC(C)C(=O)NCNC
InChIInChI=1S/C7H16N2OS/c1-4-11-6(2)7(10)9-5-8-3/h6,8H,4-5H2,1-3H3,(H,9,10)
InChIKeyQQAQLWPDNXFIIZ-UHFFFAOYSA-N
XLogP0.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminoethylsulfanyl)-N-ethylpropanamide
CID 43117398
zinc bis(2-ethylsulfanylpropanoate)
CID 87181649
2-methyl-N-[4-(methylamino)butyl]propanamide
CID 134337431
2-(2-aminoethylsulfanyl)-N-butylpropanamide
CID 43117401
(2R)-2-amino-3-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 61141480
2-methyl-N-[2-(2-methylsulfanylpropanoylamino)ethyl]propanamide
CID 71941856
2-methylsulfanyl-N-propylpropanamide
CID 131085433
N-(1,1-dioxothiolan-3-yl)-2-ethylsulfanylpropanamide
CID 47135984
3-[2-[[(2R)-2-ethylsulfanylpropanoyl]amino]ethoxy]benzoic acid
CID 125178578
3-[2-(2-ethylsulfanylpropanoylamino)ethoxy]benzoic acid
CID 118795726
methyl 2-(2-butylsulfanylpropanoylamino)acetate
CID 134037889
methane;methanethiol;N-(methylaminomethyl)propanamide
CID 143701183

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(methylaminomethyl)propanamide?
The IUPAC name of 2-ethylsulfanyl-N-(methylaminomethyl)propanamide (CID 144683184) is 2-ethylsulfanyl-N-(methylaminomethyl)propanamide.
What is the SMILES notation for 2-ethylsulfanyl-N-(methylaminomethyl)propanamide?
The canonical SMILES for 2-ethylsulfanyl-N-(methylaminomethyl)propanamide is CCSC(C)C(=O)NCNC.
What is the InChIKey of 2-ethylsulfanyl-N-(methylaminomethyl)propanamide?
The InChIKey is QQAQLWPDNXFIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-4-11-6(2)7(10)9-5-8-3/h6,8H,4-5H2,1-3H3,(H,9,10).
What are the key properties of 2-ethylsulfanyl-N-(methylaminomethyl)propanamide?
2-ethylsulfanyl-N-(methylaminomethyl)propanamide has a molecular weight of 176.28 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(methylaminomethyl)propanamide is sourced from PubChem (CID 144683184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).