2-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)-3-sulfanylpropanamide

C10H20N2O3S — CID 107769892

IUPAC2-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)-3-sulfanylpropanamide
SMILESCC(=O)NC(CS)C(=O)NC(C)C(C)CO
InChIInChI=1S/C10H20N2O3S/c1-6(4-13)7(2)11-10(15)9(5-16)12-8(3)14/h6-7,9,13,16H,4-5H2,1-3H3,(H,11,15)(H,12,14)
InChIKeyFIJRCAHVURIQHO-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.45
Rot. Bonds6

About 2-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)-3-sulfanylpropanamide

2-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)-3-sulfanylpropanamide (PubChem CID 107769892) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)-3-sulfanylpropanamide
PubChem CID107769892
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name2-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)-3-sulfanylpropanamide
SMILESCC(=O)NC(CS)C(=O)NC(C)C(C)CO
InChIInChI=1S/C10H20N2O3S/c1-6(4-13)7(2)11-10(15)9(5-16)12-8(3)14/h6-7,9,13,16H,4-5H2,1-3H3,(H,11,15)(H,12,14)
InChIKeyFIJRCAHVURIQHO-UHFFFAOYSA-N
XLogP-0.45
TPSA78.43 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
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-propan-2-yl-3-sulfanylpropanamide
CID 88909683
2-acetamido-N-butan-2-yl-3-sulfanylpropanamide
CID 88881098
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071
2-acetamido-3-sulfanylpropanoic acid;azane
CID 14369897
2-acetamido-N-(1-methoxypropan-2-yl)-3-sulfanylpropanamide
CID 107768933
lithium;(2R)-2-acetamido-3-sulfanylpropanoic acid;hydride
CID 175290404
2-acetamido-3-sulfanylpropanoic acid;pentane-1,2,3,4,5-pentol
CID 74947454
ethane;N-[(2R)-3-oxo-1-sulfanylbutan-2-yl]acetamide
CID 144564571
2-acetamido-3-sulfanylpropanethioic S-acid
CID 89034608
2-acetamido-3-sulfanyl-N-(2,2,3-trimethylbutyl)propanamide
CID 114102273
2-acetamido-N-[2-(carbamoylamino)ethyl]-3-sulfanylpropanamide
CID 107769803
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoic acid
CID 167110007

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)-3-sulfanylpropanamide?
The IUPAC name of 2-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)-3-sulfanylpropanamide (CID 107769892) is 2-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)-3-sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)-3-sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)-3-sulfanylpropanamide is CC(=O)NC(CS)C(=O)NC(C)C(C)CO.
What is the InChIKey of 2-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)-3-sulfanylpropanamide?
The InChIKey is FIJRCAHVURIQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-6(4-13)7(2)11-10(15)9(5-16)12-8(3)14/h6-7,9,13,16H,4-5H2,1-3H3,(H,11,15)(H,12,14).
What are the key properties of 2-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)-3-sulfanylpropanamide?
2-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)-3-sulfanylpropanamide has a molecular weight of 248.35 g/mol, XLogP of -0.45, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)-3-sulfanylpropanamide is sourced from PubChem (CID 107769892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).