2-acetamido-N-(1-methoxypropan-2-yl)-3-sulfanylpropanamide

C9H18N2O3S — CID 107768933

IUPAC2-acetamido-N-(1-methoxypropan-2-yl)-3-sulfanylpropanamide
SMILESCOCC(C)NC(=O)C(CS)NC(C)=O
InChIInChI=1S/C9H18N2O3S/c1-6(4-14-3)10-9(13)8(5-15)11-7(2)12/h6,8,15H,4-5H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyUAAKTNMDMZEBJN-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.43
Rot. Bonds6

About 2-acetamido-N-(1-methoxypropan-2-yl)-3-sulfanylpropanamide

2-acetamido-N-(1-methoxypropan-2-yl)-3-sulfanylpropanamide (PubChem CID 107768933) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-acetamido-N-(1-methoxypropan-2-yl)-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-(1-methoxypropan-2-yl)-3-sulfanylpropanamide
PubChem CID107768933
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name2-acetamido-N-(1-methoxypropan-2-yl)-3-sulfanylpropanamide
SMILESCOCC(C)NC(=O)C(CS)NC(C)=O
InChIInChI=1S/C9H18N2O3S/c1-6(4-14-3)10-9(13)8(5-15)11-7(2)12/h6,8,15H,4-5H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyUAAKTNMDMZEBJN-UHFFFAOYSA-N
XLogP-0.43
TPSA67.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-N-butan-2-yl-3-sulfanylpropanamide
CID 88881098
2-acetamido-N-propan-2-yl-3-sulfanylpropanamide
CID 88909683
2-amino-3-methoxy-N-(1-methoxypropan-2-yl)propanamide
CID 81082109
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071
2-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)-3-sulfanylpropanamide
CID 107769892
2-acetamido-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-sulfanylpropanamide
CID 107769839
2-acetamido-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-sulfanylpropanamide
CID 107769824
2-acetamido-3-sulfanylpropanoic acid;azane
CID 14369897
3-methoxypropyl (2R)-2-acetamido-3-sulfanylpropanoate
CID 107775731
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-acetamido-3-sulfanylpropanoate
CID 107770080
(2R)-2-acetamido-3-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfinylpropanoic acid
CID 107775595
2-acetamido-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-sulfanylpropanamide
CID 107769331

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(1-methoxypropan-2-yl)-3-sulfanylpropanamide?
The IUPAC name of 2-acetamido-N-(1-methoxypropan-2-yl)-3-sulfanylpropanamide (CID 107768933) is 2-acetamido-N-(1-methoxypropan-2-yl)-3-sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-(1-methoxypropan-2-yl)-3-sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-(1-methoxypropan-2-yl)-3-sulfanylpropanamide is COCC(C)NC(=O)C(CS)NC(C)=O.
What is the InChIKey of 2-acetamido-N-(1-methoxypropan-2-yl)-3-sulfanylpropanamide?
The InChIKey is UAAKTNMDMZEBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-6(4-14-3)10-9(13)8(5-15)11-7(2)12/h6,8,15H,4-5H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of 2-acetamido-N-(1-methoxypropan-2-yl)-3-sulfanylpropanamide?
2-acetamido-N-(1-methoxypropan-2-yl)-3-sulfanylpropanamide has a molecular weight of 234.32 g/mol, XLogP of -0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(1-methoxypropan-2-yl)-3-sulfanylpropanamide is sourced from PubChem (CID 107768933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).