(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-methylsulfanylbutanamide

C12H25N3O3S — CID 61165462

IUPAC(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-methylsulfanylbutanamide
SMILESCOCCN(CC(=O)N(C)C)C(=O)[C@@H](N)CCSC
InChIInChI=1S/C12H25N3O3S/c1-14(2)11(16)9-15(6-7-18-3)12(17)10(13)5-8-19-4/h10H,5-9,13H2,1-4H3/t10-/m0/s1
InChIKeyRLENNYWYZDJOAY-JTQLQIEISA-N
MW291.42 g/mol
LogP-0.37
Rot. Bonds9

About (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-methylsulfanylbutanamide

(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-methylsulfanylbutanamide (PubChem CID 61165462) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-methylsulfanylbutanamide
PubChem CID61165462
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-methylsulfanylbutanamide
SMILESCOCCN(CC(=O)N(C)C)C(=O)[C@@H](N)CCSC
InChIInChI=1S/C12H25N3O3S/c1-14(2)11(16)9-15(6-7-18-3)12(17)10(13)5-8-19-4/h10H,5-9,13H2,1-4H3/t10-/m0/s1
InChIKeyRLENNYWYZDJOAY-JTQLQIEISA-N
XLogP-0.37
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61163957
(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-propan-2-ylbutanamide
CID 104908944
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-3-methylpentanamide
CID 54871190
(2R)-2-amino-N-cyclopropyl-N-(2-methoxyethyl)-4-methylsulfanylbutanamide
CID 104907782
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methoxy-N-propylpropanamide
CID 81088934
(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-pentan-3-ylbutanamide
CID 104907756
(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
CID 104907658
3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897564
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpentanamide
CID 54916217
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 104897454
(2R)-2-amino-4-methylsulfanyl-N,N-dipropylbutanamide
CID 104906715
(2R)-2-amino-N-methoxy-N-methyl-4-methylsulfanylbutanamide
CID 104908209

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-methylsulfanylbutanamide (CID 61165462) is (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-methylsulfanylbutanamide is COCCN(CC(=O)N(C)C)C(=O)[C@@H](N)CCSC.
What is the InChIKey of (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-methylsulfanylbutanamide?
The InChIKey is RLENNYWYZDJOAY-JTQLQIEISA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-14(2)11(16)9-15(6-7-18-3)12(17)10(13)5-8-19-4/h10H,5-9,13H2,1-4H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-methylsulfanylbutanamide?
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-methylsulfanylbutanamide has a molecular weight of 291.42 g/mol, XLogP of -0.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 61165462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).