N-ethyl-N-methyl-2-(3-sulfanylpropanoylamino)propanamide

C9H18N2O2S — CID 107036969

IUPACN-ethyl-N-methyl-2-(3-sulfanylpropanoylamino)propanamide
SMILESCCN(C)C(=O)C(C)NC(=O)CCS
InChIInChI=1S/C9H18N2O2S/c1-4-11(3)9(13)7(2)10-8(12)5-6-14/h7,14H,4-6H2,1-3H3,(H,10,12)
InChIKeyHWYVSVKIOJWJBG-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.29
Rot. Bonds5

About N-ethyl-N-methyl-2-(3-sulfanylpropanoylamino)propanamide

N-ethyl-N-methyl-2-(3-sulfanylpropanoylamino)propanamide (PubChem CID 107036969) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-(3-sulfanylpropanoylamino)propanamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-(3-sulfanylpropanoylamino)propanamide
PubChem CID107036969
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-ethyl-N-methyl-2-(3-sulfanylpropanoylamino)propanamide
SMILESCCN(C)C(=O)C(C)NC(=O)CCS
InChIInChI=1S/C9H18N2O2S/c1-4-11(3)9(13)7(2)10-8(12)5-6-14/h7,14H,4-6H2,1-3H3,(H,10,12)
InChIKeyHWYVSVKIOJWJBG-UHFFFAOYSA-N
XLogP0.29
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-hydroxypentanamide
CID 103113627
6-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4,4-dimethylhexanamide
CID 103109224
N-ethyl-N-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide
CID 103113639
3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl-methylamino]propanoic acid
CID 103112618
4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499411
2-[[2-(azetidin-3-yl)acetyl]amino]-N-ethyl-N-methylpropanamide
CID 103109207
N-ethyl-N-methyl-2-(propan-2-ylamino)propanamide
CID 103107904
(2S)-2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide
CID 103109126
N-ethyl-N-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 103108695
N-ethyl-2-(ethylcarbamothioylamino)-N-methylpropanamide
CID 103108210
ethyl 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoacetate
CID 103113071
N-ethyl-N-methyl-2-(3-naphthalen-2-ylpropanoylamino)propanamide
CID 119046892

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-(3-sulfanylpropanoylamino)propanamide?
The IUPAC name of N-ethyl-N-methyl-2-(3-sulfanylpropanoylamino)propanamide (CID 107036969) is N-ethyl-N-methyl-2-(3-sulfanylpropanoylamino)propanamide.
What is the SMILES notation for N-ethyl-N-methyl-2-(3-sulfanylpropanoylamino)propanamide?
The canonical SMILES for N-ethyl-N-methyl-2-(3-sulfanylpropanoylamino)propanamide is CCN(C)C(=O)C(C)NC(=O)CCS.
What is the InChIKey of N-ethyl-N-methyl-2-(3-sulfanylpropanoylamino)propanamide?
The InChIKey is HWYVSVKIOJWJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-4-11(3)9(13)7(2)10-8(12)5-6-14/h7,14H,4-6H2,1-3H3,(H,10,12).
What are the key properties of N-ethyl-N-methyl-2-(3-sulfanylpropanoylamino)propanamide?
N-ethyl-N-methyl-2-(3-sulfanylpropanoylamino)propanamide has a molecular weight of 218.32 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-(3-sulfanylpropanoylamino)propanamide is sourced from PubChem (CID 107036969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).