(2S)-N-hydroxy-4-methyl-2-(thiophen-2-ylmethylcarbamoylamino)pentanamide

C12H19N3O3S — CID 71457623

IUPAC(2S)-N-hydroxy-4-methyl-2-(thiophen-2-ylmethylcarbamoylamino)pentanamide
SMILESCC(C)C[C@H](NC(=O)NCc1cccs1)C(=O)NO
InChIInChI=1S/C12H19N3O3S/c1-8(2)6-10(11(16)15-18)14-12(17)13-7-9-4-3-5-19-9/h3-5,8,10,18H,6-7H2,1-2H3,(H,15,16)(H2,13,14,17)/t10-/m0/s1
InChIKeyJTVZVYTVMGBYSV-JTQLQIEISA-N
MW285.37 g/mol
LogP1.47
Rot. Bonds6

About (2S)-N-hydroxy-4-methyl-2-(thiophen-2-ylmethylcarbamoylamino)pentanamide

(2S)-N-hydroxy-4-methyl-2-(thiophen-2-ylmethylcarbamoylamino)pentanamide (PubChem CID 71457623) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is (2S)-N-hydroxy-4-methyl-2-(thiophen-2-ylmethylcarbamoylamino)pentanamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-4-methyl-2-(thiophen-2-ylmethylcarbamoylamino)pentanamide
PubChem CID71457623
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name(2S)-N-hydroxy-4-methyl-2-(thiophen-2-ylmethylcarbamoylamino)pentanamide
SMILESCC(C)C[C@H](NC(=O)NCc1cccs1)C(=O)NO
InChIInChI=1S/C12H19N3O3S/c1-8(2)6-10(11(16)15-18)14-12(17)13-7-9-4-3-5-19-9/h3-5,8,10,18H,6-7H2,1-2H3,(H,15,16)(H2,13,14,17)/t10-/m0/s1
InChIKeyJTVZVYTVMGBYSV-JTQLQIEISA-N
XLogP1.47
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-4-methyl-2-(thiophen-2-ylmethylcarbamoylamino)pentanamide?
The IUPAC name of (2S)-N-hydroxy-4-methyl-2-(thiophen-2-ylmethylcarbamoylamino)pentanamide (CID 71457623) is (2S)-N-hydroxy-4-methyl-2-(thiophen-2-ylmethylcarbamoylamino)pentanamide.
What is the SMILES notation for (2S)-N-hydroxy-4-methyl-2-(thiophen-2-ylmethylcarbamoylamino)pentanamide?
The canonical SMILES for (2S)-N-hydroxy-4-methyl-2-(thiophen-2-ylmethylcarbamoylamino)pentanamide is CC(C)C[C@H](NC(=O)NCc1cccs1)C(=O)NO.
What is the InChIKey of (2S)-N-hydroxy-4-methyl-2-(thiophen-2-ylmethylcarbamoylamino)pentanamide?
The InChIKey is JTVZVYTVMGBYSV-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-8(2)6-10(11(16)15-18)14-12(17)13-7-9-4-3-5-19-9/h3-5,8,10,18H,6-7H2,1-2H3,(H,15,16)(H2,13,14,17)/t10-/m0/s1.
What are the key properties of (2S)-N-hydroxy-4-methyl-2-(thiophen-2-ylmethylcarbamoylamino)pentanamide?
(2S)-N-hydroxy-4-methyl-2-(thiophen-2-ylmethylcarbamoylamino)pentanamide has a molecular weight of 285.37 g/mol, XLogP of 1.47, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-4-methyl-2-(thiophen-2-ylmethylcarbamoylamino)pentanamide is sourced from PubChem (CID 71457623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).