2-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-4-sulfanylbutanamide

C9H16N2O3S — CID 59138419

IUPAC2-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-4-sulfanylbutanamide
SMILESCNC(=O)[C@@H](C)NC(=O)C(C)C(=O)CS
InChIInChI=1S/C9H16N2O3S/c1-5(7(12)4-15)8(13)11-6(2)9(14)10-3/h5-6,15H,4H2,1-3H3,(H,10,14)(H,11,13)/t5?,6-/m1/s1
InChIKeyUCDUPZTTYHJGLQ-PRJDIBJQSA-N
MW232.30 g/mol
LogP-0.63
Rot. Bonds5

About 2-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-4-sulfanylbutanamide

2-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-4-sulfanylbutanamide (PubChem CID 59138419) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-4-sulfanylbutanamide.

Molecular Properties

Compound Name2-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-4-sulfanylbutanamide
PubChem CID59138419
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name2-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-4-sulfanylbutanamide
SMILESCNC(=O)[C@@H](C)NC(=O)C(C)C(=O)CS
InChIInChI=1S/C9H16N2O3S/c1-5(7(12)4-15)8(13)11-6(2)9(14)10-3/h5-6,15H,4H2,1-3H3,(H,10,14)(H,11,13)/t5?,6-/m1/s1
InChIKeyUCDUPZTTYHJGLQ-PRJDIBJQSA-N
XLogP-0.63
TPSA75.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-methyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-oxo-5-sulfanylpentanamide
CID 54265411
(2R)-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 94523923
2-methyl-N-[1-[[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71340573
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71361060
(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 14888125
2-(2-bromopropanoylamino)-N-methylpropanamide
CID 107904965
N,2-dimethyl-3-oxopentanamide
CID 55299421
(2S)-2-amino-3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide
CID 61467429
3-[[1-(methylamino)-1-oxopropan-2-yl]amino]-3-oxopropanoic acid
CID 62232320
2-(chloroamino)-N-methylpropanamide
CID 19827989
N-methyl-2-(methylcarbamothioylamino)propanamide
CID 115588003
(2R)-2-amino-N-[1-(methylamino)-1-oxopropan-2-yl]pentanamide
CID 103795688

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-4-sulfanylbutanamide?
The IUPAC name of 2-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-4-sulfanylbutanamide (CID 59138419) is 2-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-4-sulfanylbutanamide.
What is the SMILES notation for 2-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-4-sulfanylbutanamide?
The canonical SMILES for 2-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-4-sulfanylbutanamide is CNC(=O)[C@@H](C)NC(=O)C(C)C(=O)CS.
What is the InChIKey of 2-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-4-sulfanylbutanamide?
The InChIKey is UCDUPZTTYHJGLQ-PRJDIBJQSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-5(7(12)4-15)8(13)11-6(2)9(14)10-3/h5-6,15H,4H2,1-3H3,(H,10,14)(H,11,13)/t5?,6-/m1/s1.
What are the key properties of 2-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-4-sulfanylbutanamide?
2-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-4-sulfanylbutanamide has a molecular weight of 232.30 g/mol, XLogP of -0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-4-sulfanylbutanamide is sourced from PubChem (CID 59138419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).