(2S)-4-methyl-2-(methylamino)-N-[(2S,3R)-2-methyl-4-oxothiolan-3-yl]pentanamide

C12H22N2O2S — CID 59107787

IUPAC(2S)-4-methyl-2-(methylamino)-N-[(2S,3R)-2-methyl-4-oxothiolan-3-yl]pentanamide
SMILESCN[C@@H](CC(C)C)C(=O)N[C@@H]1C(=O)CS[C@H]1C
InChIInChI=1S/C12H22N2O2S/c1-7(2)5-9(13-4)12(16)14-11-8(3)17-6-10(11)15/h7-9,11,13H,5-6H2,1-4H3,(H,14,16)/t8-,9-,11-/m0/s1
InChIKeyRCDRSJBATXBQIO-QXEWZRGKSA-N
MW258.39 g/mol
LogP0.81
Rot. Bonds5

About (2S)-4-methyl-2-(methylamino)-N-[(2S,3R)-2-methyl-4-oxothiolan-3-yl]pentanamide

(2S)-4-methyl-2-(methylamino)-N-[(2S,3R)-2-methyl-4-oxothiolan-3-yl]pentanamide (PubChem CID 59107787) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is (2S)-4-methyl-2-(methylamino)-N-[(2S,3R)-2-methyl-4-oxothiolan-3-yl]pentanamide.

Molecular Properties

Compound Name(2S)-4-methyl-2-(methylamino)-N-[(2S,3R)-2-methyl-4-oxothiolan-3-yl]pentanamide
PubChem CID59107787
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name(2S)-4-methyl-2-(methylamino)-N-[(2S,3R)-2-methyl-4-oxothiolan-3-yl]pentanamide
SMILESCN[C@@H](CC(C)C)C(=O)N[C@@H]1C(=O)CS[C@H]1C
InChIInChI=1S/C12H22N2O2S/c1-7(2)5-9(13-4)12(16)14-11-8(3)17-6-10(11)15/h7-9,11,13H,5-6H2,1-4H3,(H,14,16)/t8-,9-,11-/m0/s1
InChIKeyRCDRSJBATXBQIO-QXEWZRGKSA-N
XLogP0.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(methylamino)-N-[(2S,3R)-2-methyl-4-oxothiolan-3-yl]pentanamide?
The IUPAC name of (2S)-4-methyl-2-(methylamino)-N-[(2S,3R)-2-methyl-4-oxothiolan-3-yl]pentanamide (CID 59107787) is (2S)-4-methyl-2-(methylamino)-N-[(2S,3R)-2-methyl-4-oxothiolan-3-yl]pentanamide.
What is the SMILES notation for (2S)-4-methyl-2-(methylamino)-N-[(2S,3R)-2-methyl-4-oxothiolan-3-yl]pentanamide?
The canonical SMILES for (2S)-4-methyl-2-(methylamino)-N-[(2S,3R)-2-methyl-4-oxothiolan-3-yl]pentanamide is CN[C@@H](CC(C)C)C(=O)N[C@@H]1C(=O)CS[C@H]1C.
What is the InChIKey of (2S)-4-methyl-2-(methylamino)-N-[(2S,3R)-2-methyl-4-oxothiolan-3-yl]pentanamide?
The InChIKey is RCDRSJBATXBQIO-QXEWZRGKSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-7(2)5-9(13-4)12(16)14-11-8(3)17-6-10(11)15/h7-9,11,13H,5-6H2,1-4H3,(H,14,16)/t8-,9-,11-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(methylamino)-N-[(2S,3R)-2-methyl-4-oxothiolan-3-yl]pentanamide?
(2S)-4-methyl-2-(methylamino)-N-[(2S,3R)-2-methyl-4-oxothiolan-3-yl]pentanamide has a molecular weight of 258.39 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(methylamino)-N-[(2S,3R)-2-methyl-4-oxothiolan-3-yl]pentanamide is sourced from PubChem (CID 59107787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).