(2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-4-methylsulfanylbutanamide

C12H25N3OS — CID 104906812

IUPAC(2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C12H25N3OS/c1-14-7-4-10(5-8-14)15(2)12(16)11(13)6-9-17-3/h10-11H,4-9,13H2,1-3H3/t11-/m1/s1
InChIKeyUSNFUUCZIVJTIL-LLVKDONJSA-N
MW259.42 g/mol
LogP0.62
Rot. Bonds5

About (2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-4-methylsulfanylbutanamide

(2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-4-methylsulfanylbutanamide (PubChem CID 104906812) has the molecular formula C12H25N3OS and a molecular weight of 259.42 g/mol. Its IUPAC name is (2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-4-methylsulfanylbutanamide
PubChem CID104906812
Molecular FormulaC12H25N3OS
Molecular Weight259.42 g/mol
Exact Mass259.17
IUPAC Name(2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](N)C(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C12H25N3OS/c1-14-7-4-10(5-8-14)15(2)12(16)11(13)6-9-17-3/h10-11H,4-9,13H2,1-3H3/t11-/m1/s1
InChIKeyUSNFUUCZIVJTIL-LLVKDONJSA-N
XLogP0.62
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-methyl-1-thiomorpholin-4-ylpentan-1-one
CID 28787393
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-4-methylsulfanylbutanamide
CID 11088924
(2S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one
CID 61174564
N-pentan-3-yl-2-thiomorpholin-4-ylacetamide
CID 53523746
1-[3-(Thian-4-ylamino)pyrrolidin-1-yl]propan-1-one
CID 71969178
3,6-Bis(2-(methylthio)ethyl)-2,5-piperazinedione
CID 169842
Cyclo-methionylglycine
CID 194124
2-acetamido-N,N-dimethyl-4-(methylsulfanyl)butanamide
CID 5245532
2-Amino-3-(methylsulfanyl)-1-(piperazin-1-yl)propan-1-one
CID 82506609
2-Amino-1-(4-methylpiperazin-1-yl)-4-(methylsulfanyl)butan-1-one dihydrochloride
CID 145867240
8-methyl-4-propanoyl-N-propyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 20919141
(3S,6S)-3,6-bis(2-methylsulfanylethyl)piperazine-2,5-dione
CID 6993079

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-4-methylsulfanylbutanamide (CID 104906812) is (2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-4-methylsulfanylbutanamide is CSCC[C@@H](N)C(=O)N(C)C1CCN(C)CC1.
What is the InChIKey of (2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-4-methylsulfanylbutanamide?
The InChIKey is USNFUUCZIVJTIL-LLVKDONJSA-N. The full InChI is InChI=1S/C12H25N3OS/c1-14-7-4-10(5-8-14)15(2)12(16)11(13)6-9-17-3/h10-11H,4-9,13H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-4-methylsulfanylbutanamide?
(2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-4-methylsulfanylbutanamide has a molecular weight of 259.42 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 104906812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).