3-(2-amino-2-oxoethyl)sulfanyl-N-(1-hydroxypropan-2-yl)propanamide

C8H16N2O3S — CID 43418562

IUPAC3-(2-amino-2-oxoethyl)sulfanyl-N-(1-hydroxypropan-2-yl)propanamide
SMILESCC(CO)NC(=O)CCSCC(N)=O
InChIInChI=1S/C8H16N2O3S/c1-6(4-11)10-8(13)2-3-14-5-7(9)12/h6,11H,2-5H2,1H3,(H2,9,12)(H,10,13)
InChIKeyMBHYHGZFQSFPNP-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.91
Rot. Bonds7

About 3-(2-amino-2-oxoethyl)sulfanyl-N-(1-hydroxypropan-2-yl)propanamide

3-(2-amino-2-oxoethyl)sulfanyl-N-(1-hydroxypropan-2-yl)propanamide (PubChem CID 43418562) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)sulfanyl-N-(1-hydroxypropan-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)sulfanyl-N-(1-hydroxypropan-2-yl)propanamide
PubChem CID43418562
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name3-(2-amino-2-oxoethyl)sulfanyl-N-(1-hydroxypropan-2-yl)propanamide
SMILESCC(CO)NC(=O)CCSCC(N)=O
InChIInChI=1S/C8H16N2O3S/c1-6(4-11)10-8(13)2-3-14-5-7(9)12/h6,11H,2-5H2,1H3,(H2,9,12)(H,10,13)
InChIKeyMBHYHGZFQSFPNP-UHFFFAOYSA-N
XLogP-0.91
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]butanoic acid
CID 43360932
3-(2-amino-2-oxoethyl)sulfanyl-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 103782450
3-amino-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 93083457
N-[(2R)-butan-2-yl]-3-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]sulfanylpropanamide
CID 2169384
2-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-3-methylpentanoic acid
CID 43356489
3-(2-amino-2-oxoethyl)sulfanyl-N-hydroxypropanamide
CID 22287106
3-(2-amino-2-oxoethyl)sulfanyl-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66107561
4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoic acid
CID 107214433
2-amino-N-[(2S)-1-hydroxypropan-2-yl]acetamide
CID 93083458
4-amino-N-[(2S)-1-hydroxypropan-2-yl]-4-methylpentanamide
CID 107219055
3-(2-amino-2-oxoethyl)sulfanyl-N-(2-ethylbutyl)propanamide
CID 115612989
ethyl 4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoate
CID 79030775

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-(1-hydroxypropan-2-yl)propanamide?
The IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-(1-hydroxypropan-2-yl)propanamide (CID 43418562) is 3-(2-amino-2-oxoethyl)sulfanyl-N-(1-hydroxypropan-2-yl)propanamide.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)sulfanyl-N-(1-hydroxypropan-2-yl)propanamide?
The canonical SMILES for 3-(2-amino-2-oxoethyl)sulfanyl-N-(1-hydroxypropan-2-yl)propanamide is CC(CO)NC(=O)CCSCC(N)=O.
What is the InChIKey of 3-(2-amino-2-oxoethyl)sulfanyl-N-(1-hydroxypropan-2-yl)propanamide?
The InChIKey is MBHYHGZFQSFPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c1-6(4-11)10-8(13)2-3-14-5-7(9)12/h6,11H,2-5H2,1H3,(H2,9,12)(H,10,13).
What are the key properties of 3-(2-amino-2-oxoethyl)sulfanyl-N-(1-hydroxypropan-2-yl)propanamide?
3-(2-amino-2-oxoethyl)sulfanyl-N-(1-hydroxypropan-2-yl)propanamide has a molecular weight of 220.29 g/mol, XLogP of -0.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)sulfanyl-N-(1-hydroxypropan-2-yl)propanamide is sourced from PubChem (CID 43418562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).