2-acetamido-N-butan-2-yl-3-sulfanylpropanamide

C9H18N2O2S — CID 88881098

IUPAC2-acetamido-N-butan-2-yl-3-sulfanylpropanamide
SMILESCCC(C)NC(=O)C(CS)NC(C)=O
InChIInChI=1S/C9H18N2O2S/c1-4-6(2)10-9(13)8(5-14)11-7(3)12/h6,8,14H,4-5H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyUWCJKVGCDKHTMR-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.34
Rot. Bonds5

About 2-acetamido-N-butan-2-yl-3-sulfanylpropanamide

2-acetamido-N-butan-2-yl-3-sulfanylpropanamide (PubChem CID 88881098) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-acetamido-N-butan-2-yl-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-butan-2-yl-3-sulfanylpropanamide
PubChem CID88881098
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name2-acetamido-N-butan-2-yl-3-sulfanylpropanamide
SMILESCCC(C)NC(=O)C(CS)NC(C)=O
InChIInChI=1S/C9H18N2O2S/c1-4-6(2)10-9(13)8(5-14)11-7(3)12/h6,8,14H,4-5H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyUWCJKVGCDKHTMR-UHFFFAOYSA-N
XLogP0.34
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-N-propan-2-yl-3-sulfanylpropanamide
CID 88909683
2-acetamido-N-(1-methoxypropan-2-yl)-3-sulfanylpropanamide
CID 107768933
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071
N-[(2R)-butan-2-yl]-2-methylbutanamide
CID 88542995
2-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)-3-sulfanylpropanamide
CID 107769892
2-acetamido-3-sulfanylpropanoic acid;azane
CID 14369897
2-acetamido-N-(1-phenylpropyl)-3-sulfanylpropanamide
CID 107769437
lithium;(2R)-2-acetamido-3-sulfanylpropanoic acid;hydride
CID 175290404
(2R)-2-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-3-sulfanylpropanoic acid
CID 175709227
2-acetamido-3-sulfanylpropanethioic S-acid
CID 89034608
ethane;N-[(2R)-3-oxo-1-sulfanylbutan-2-yl]acetamide
CID 144564571
N-[1-(4-acetylpiperazin-1-yl)-1-oxo-3-sulfanylpropan-2-yl]acetamide
CID 107769009

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-butan-2-yl-3-sulfanylpropanamide?
The IUPAC name of 2-acetamido-N-butan-2-yl-3-sulfanylpropanamide (CID 88881098) is 2-acetamido-N-butan-2-yl-3-sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-butan-2-yl-3-sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-butan-2-yl-3-sulfanylpropanamide is CCC(C)NC(=O)C(CS)NC(C)=O.
What is the InChIKey of 2-acetamido-N-butan-2-yl-3-sulfanylpropanamide?
The InChIKey is UWCJKVGCDKHTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-4-6(2)10-9(13)8(5-14)11-7(3)12/h6,8,14H,4-5H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of 2-acetamido-N-butan-2-yl-3-sulfanylpropanamide?
2-acetamido-N-butan-2-yl-3-sulfanylpropanamide has a molecular weight of 218.32 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-butan-2-yl-3-sulfanylpropanamide is sourced from PubChem (CID 88881098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).