2-(dimethylamino)-N-[(2R)-1-(dimethylamino)-3-methylsulfanyl-1-oxopropan-2-yl]-2-methylpropanamide

C12H25N3O2S — CID 145284928

IUPAC2-(dimethylamino)-N-[(2R)-1-(dimethylamino)-3-methylsulfanyl-1-oxopropan-2-yl]-2-methylpropanamide
SMILESCSC[C@H](NC(=O)C(C)(C)N(C)C)C(=O)N(C)C
InChIInChI=1S/C12H25N3O2S/c1-12(2,15(5)6)11(17)13-9(8-18-7)10(16)14(3)4/h9H,8H2,1-7H3,(H,13,17)/t9-/m0/s1
InChIKeyNCOCRXBOFXTDIJ-VIFPVBQESA-N
MW275.42 g/mol
LogP0.26
Rot. Bonds6

About 2-(dimethylamino)-N-[(2R)-1-(dimethylamino)-3-methylsulfanyl-1-oxopropan-2-yl]-2-methylpropanamide

2-(dimethylamino)-N-[(2R)-1-(dimethylamino)-3-methylsulfanyl-1-oxopropan-2-yl]-2-methylpropanamide (PubChem CID 145284928) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(2R)-1-(dimethylamino)-3-methylsulfanyl-1-oxopropan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(2R)-1-(dimethylamino)-3-methylsulfanyl-1-oxopropan-2-yl]-2-methylpropanamide
PubChem CID145284928
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name2-(dimethylamino)-N-[(2R)-1-(dimethylamino)-3-methylsulfanyl-1-oxopropan-2-yl]-2-methylpropanamide
SMILESCSC[C@H](NC(=O)C(C)(C)N(C)C)C(=O)N(C)C
InChIInChI=1S/C12H25N3O2S/c1-12(2,15(5)6)11(17)13-9(8-18-7)10(16)14(3)4/h9H,8H2,1-7H3,(H,13,17)/t9-/m0/s1
InChIKeyNCOCRXBOFXTDIJ-VIFPVBQESA-N
XLogP0.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(2R)-1-(dimethylamino)-3-methylsulfanyl-1-oxopropan-2-yl]-2-methylpropanamide?
The IUPAC name of 2-(dimethylamino)-N-[(2R)-1-(dimethylamino)-3-methylsulfanyl-1-oxopropan-2-yl]-2-methylpropanamide (CID 145284928) is 2-(dimethylamino)-N-[(2R)-1-(dimethylamino)-3-methylsulfanyl-1-oxopropan-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(2R)-1-(dimethylamino)-3-methylsulfanyl-1-oxopropan-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-(dimethylamino)-N-[(2R)-1-(dimethylamino)-3-methylsulfanyl-1-oxopropan-2-yl]-2-methylpropanamide is CSC[C@H](NC(=O)C(C)(C)N(C)C)C(=O)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-[(2R)-1-(dimethylamino)-3-methylsulfanyl-1-oxopropan-2-yl]-2-methylpropanamide?
The InChIKey is NCOCRXBOFXTDIJ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-12(2,15(5)6)11(17)13-9(8-18-7)10(16)14(3)4/h9H,8H2,1-7H3,(H,13,17)/t9-/m0/s1.
What are the key properties of 2-(dimethylamino)-N-[(2R)-1-(dimethylamino)-3-methylsulfanyl-1-oxopropan-2-yl]-2-methylpropanamide?
2-(dimethylamino)-N-[(2R)-1-(dimethylamino)-3-methylsulfanyl-1-oxopropan-2-yl]-2-methylpropanamide has a molecular weight of 275.42 g/mol, XLogP of 0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(2R)-1-(dimethylamino)-3-methylsulfanyl-1-oxopropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 145284928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).