N-[(2S)-4-methylsulfanyl-1-oxo-1-(2-propan-2-ylhydrazinyl)butan-2-yl]acetamide

C10H21N3O2S — CID 21140434

IUPACN-[(2S)-4-methylsulfanyl-1-oxo-1-(2-propan-2-ylhydrazinyl)butan-2-yl]acetamide
SMILESCSCC[C@H](NC(C)=O)C(=O)NNC(C)C
InChIInChI=1S/C10H21N3O2S/c1-7(2)12-13-10(15)9(5-6-16-4)11-8(3)14/h7,9,12H,5-6H2,1-4H3,(H,11,14)(H,13,15)/t9-/m0/s1
InChIKeyJBNJQEWHWKASCB-VIFPVBQESA-N
MW247.36 g/mol
LogP0.27
Rot. Bonds7

About N-[(2S)-4-methylsulfanyl-1-oxo-1-(2-propan-2-ylhydrazinyl)butan-2-yl]acetamide

N-[(2S)-4-methylsulfanyl-1-oxo-1-(2-propan-2-ylhydrazinyl)butan-2-yl]acetamide (PubChem CID 21140434) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is N-[(2S)-4-methylsulfanyl-1-oxo-1-(2-propan-2-ylhydrazinyl)butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-4-methylsulfanyl-1-oxo-1-(2-propan-2-ylhydrazinyl)butan-2-yl]acetamide
PubChem CID21140434
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC NameN-[(2S)-4-methylsulfanyl-1-oxo-1-(2-propan-2-ylhydrazinyl)butan-2-yl]acetamide
SMILESCSCC[C@H](NC(C)=O)C(=O)NNC(C)C
InChIInChI=1S/C10H21N3O2S/c1-7(2)12-13-10(15)9(5-6-16-4)11-8(3)14/h7,9,12H,5-6H2,1-4H3,(H,11,14)(H,13,15)/t9-/m0/s1
InChIKeyJBNJQEWHWKASCB-VIFPVBQESA-N
XLogP0.27
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2S)-4-methylsulfanyl-1-oxo-1-(2-propan-2-ylhydrazinyl)butan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methylsulfanyl-1-oxo-1-(2-propan-2-ylhydrazinyl)butan-2-yl]acetamide?
The IUPAC name of N-[(2S)-4-methylsulfanyl-1-oxo-1-(2-propan-2-ylhydrazinyl)butan-2-yl]acetamide (CID 21140434) is N-[(2S)-4-methylsulfanyl-1-oxo-1-(2-propan-2-ylhydrazinyl)butan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-4-methylsulfanyl-1-oxo-1-(2-propan-2-ylhydrazinyl)butan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-4-methylsulfanyl-1-oxo-1-(2-propan-2-ylhydrazinyl)butan-2-yl]acetamide is CSCC[C@H](NC(C)=O)C(=O)NNC(C)C.
What is the InChIKey of N-[(2S)-4-methylsulfanyl-1-oxo-1-(2-propan-2-ylhydrazinyl)butan-2-yl]acetamide?
The InChIKey is JBNJQEWHWKASCB-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21N3O2S/c1-7(2)12-13-10(15)9(5-6-16-4)11-8(3)14/h7,9,12H,5-6H2,1-4H3,(H,11,14)(H,13,15)/t9-/m0/s1.
What are the key properties of N-[(2S)-4-methylsulfanyl-1-oxo-1-(2-propan-2-ylhydrazinyl)butan-2-yl]acetamide?
N-[(2S)-4-methylsulfanyl-1-oxo-1-(2-propan-2-ylhydrazinyl)butan-2-yl]acetamide has a molecular weight of 247.36 g/mol, XLogP of 0.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methylsulfanyl-1-oxo-1-(2-propan-2-ylhydrazinyl)butan-2-yl]acetamide is sourced from PubChem (CID 21140434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).