(2R)-2-methyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-oxo-5-sulfanylpentanamide

C10H18N2O3S — CID 54265411

IUPAC(2R)-2-methyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-oxo-5-sulfanylpentanamide
SMILESCNC(=O)[C@H](C)NC(=O)[C@H](C)CC(=O)CS
InChIInChI=1S/C10H18N2O3S/c1-6(4-8(13)5-16)9(14)12-7(2)10(15)11-3/h6-7,16H,4-5H2,1-3H3,(H,11,15)(H,12,14)/t6-,7+/m1/s1
InChIKeyRGKGONJNSWYULN-RQJHMYQMSA-N
MW246.33 g/mol
LogP-0.24
Rot. Bonds6

About (2R)-2-methyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-oxo-5-sulfanylpentanamide

(2R)-2-methyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-oxo-5-sulfanylpentanamide (PubChem CID 54265411) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is (2R)-2-methyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-oxo-5-sulfanylpentanamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-oxo-5-sulfanylpentanamide
PubChem CID54265411
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name(2R)-2-methyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-oxo-5-sulfanylpentanamide
SMILESCNC(=O)[C@H](C)NC(=O)[C@H](C)CC(=O)CS
InChIInChI=1S/C10H18N2O3S/c1-6(4-8(13)5-16)9(14)12-7(2)10(15)11-3/h6-7,16H,4-5H2,1-3H3,(H,11,15)(H,12,14)/t6-,7+/m1/s1
InChIKeyRGKGONJNSWYULN-RQJHMYQMSA-N
XLogP-0.24
TPSA75.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]-3-oxo-4-sulfanylbutanamide
CID 59138419
(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
2-fluoro-2-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 130683456
N,2-dimethyl-3-sulfanylpropanamide
CID 13075016
(2S)-2-amino-3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide
CID 61467429
2-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]prop-2-enamide
CID 23064653
3-[[1-(methylamino)-1-oxopropan-2-yl]amino]-3-oxopropanoic acid
CID 62232320
(2S)-2-[[(2R)-9-methoxy-2-methyl-4,9-dioxononanoyl]amino]propanoic acid
CID 159636938

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-oxo-5-sulfanylpentanamide?
The IUPAC name of (2R)-2-methyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-oxo-5-sulfanylpentanamide (CID 54265411) is (2R)-2-methyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-oxo-5-sulfanylpentanamide.
What is the SMILES notation for (2R)-2-methyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-oxo-5-sulfanylpentanamide?
The canonical SMILES for (2R)-2-methyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-oxo-5-sulfanylpentanamide is CNC(=O)[C@H](C)NC(=O)[C@H](C)CC(=O)CS.
What is the InChIKey of (2R)-2-methyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-oxo-5-sulfanylpentanamide?
The InChIKey is RGKGONJNSWYULN-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-6(4-8(13)5-16)9(14)12-7(2)10(15)11-3/h6-7,16H,4-5H2,1-3H3,(H,11,15)(H,12,14)/t6-,7+/m1/s1.
What are the key properties of (2R)-2-methyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-oxo-5-sulfanylpentanamide?
(2R)-2-methyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-oxo-5-sulfanylpentanamide has a molecular weight of 246.33 g/mol, XLogP of -0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-oxo-5-sulfanylpentanamide is sourced from PubChem (CID 54265411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).