2-acetamido-N-propan-2-yl-3-sulfanylpropanamide

C8H16N2O2S — CID 88909683

IUPAC2-acetamido-N-propan-2-yl-3-sulfanylpropanamide
SMILESCC(=O)NC(CS)C(=O)NC(C)C
InChIInChI=1S/C8H16N2O2S/c1-5(2)9-8(12)7(4-13)10-6(3)11/h5,7,13H,4H2,1-3H3,(H,9,12)(H,10,11)
InChIKeyNIZHJTPQTAPWCZ-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.05
Rot. Bonds4

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

2-acetamido-N-propan-2-yl-3-sulfanylpropanamide (PubChem CID 88909683) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-acetamido-N-propan-2-yl-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-propan-2-yl-3-sulfanylpropanamide
PubChem CID88909683
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name2-acetamido-N-propan-2-yl-3-sulfanylpropanamide
SMILESCC(=O)NC(CS)C(=O)NC(C)C
InChIInChI=1S/C8H16N2O2S/c1-5(2)9-8(12)7(4-13)10-6(3)11/h5,7,13H,4H2,1-3H3,(H,9,12)(H,10,11)
InChIKeyNIZHJTPQTAPWCZ-UHFFFAOYSA-N
XLogP-0.05
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.05
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-butan-2-yl-3-sulfanylpropanamide
CID 88881098
(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-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
ethane;N-[(2R)-3-oxo-1-sulfanylbutan-2-yl]acetamide
CID 144564571
2-acetamido-3-sulfanylpropanethioic S-acid
CID 89034608
2-acetamido-N-cycloheptyl-3-sulfanylpropanamide
CID 107769078
2-acetamido-3-sulfanyl-N-(2,2,3-trimethylbutyl)propanamide
CID 114102273
2-acetamido-N-[2-(carbamoylamino)ethyl]-3-sulfanylpropanamide
CID 107769803
sodium 2-acetamido-3-sulfanylpropanoate
CID 23678797

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-propan-2-yl-3-sulfanylpropanamide?
The IUPAC name of 2-acetamido-N-propan-2-yl-3-sulfanylpropanamide (CID 88909683) is 2-acetamido-N-propan-2-yl-3-sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-propan-2-yl-3-sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-propan-2-yl-3-sulfanylpropanamide is CC(=O)NC(CS)C(=O)NC(C)C.
What is the InChIKey of 2-acetamido-N-propan-2-yl-3-sulfanylpropanamide?
The InChIKey is NIZHJTPQTAPWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-5(2)9-8(12)7(4-13)10-6(3)11/h5,7,13H,4H2,1-3H3,(H,9,12)(H,10,11).
What are the key properties of 2-acetamido-N-propan-2-yl-3-sulfanylpropanamide?
2-acetamido-N-propan-2-yl-3-sulfanylpropanamide has a molecular weight of 204.29 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-propan-2-yl-3-sulfanylpropanamide is sourced from PubChem (CID 88909683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).