N-(1-methoxypropan-2-yl)-4-methyl-3-oxopiperazine-1-carbothioamide

C10H19N3O2S — CID 115643150

IUPACN-(1-methoxypropan-2-yl)-4-methyl-3-oxopiperazine-1-carbothioamide
SMILESCOCC(C)NC(=S)N1CCN(C)C(=O)C1
InChIInChI=1S/C10H19N3O2S/c1-8(7-15-3)11-10(16)13-5-4-12(2)9(14)6-13/h8H,4-7H2,1-3H3,(H,11,16)
InChIKeyNRLZNXTXWURBFP-UHFFFAOYSA-N
MW245.35 g/mol
LogP-0.33
Rot. Bonds3

About N-(1-methoxypropan-2-yl)-4-methyl-3-oxopiperazine-1-carbothioamide

N-(1-methoxypropan-2-yl)-4-methyl-3-oxopiperazine-1-carbothioamide (PubChem CID 115643150) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-4-methyl-3-oxopiperazine-1-carbothioamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-4-methyl-3-oxopiperazine-1-carbothioamide
PubChem CID115643150
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-(1-methoxypropan-2-yl)-4-methyl-3-oxopiperazine-1-carbothioamide
SMILESCOCC(C)NC(=S)N1CCN(C)C(=O)C1
InChIInChI=1S/C10H19N3O2S/c1-8(7-15-3)11-10(16)13-5-4-12(2)9(14)6-13/h8H,4-7H2,1-3H3,(H,11,16)
InChIKeyNRLZNXTXWURBFP-UHFFFAOYSA-N
XLogP-0.33
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-(1-methoxypropan-2-yl)-4-methyl-3-oxopiperazine-1-carbothioamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-4-[1-oxo-1-(propan-2-ylamino)propan-2-yl]piperazine-1-carboxamide
CID 72023436
N-[1-(2-methoxyethylcarbamothioyl)piperidin-4-yl]acetamide
CID 3218537
2-(4-ethylpiperazin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 45796771
N-cyclopropyl-4-[2-(morpholin-4-yl)-2-oxoethyl]piperazine-1-carbothioamide
CID 17598536
N-methyl-4-[2-(morpholin-4-yl)-2-oxoethyl]piperazine-1-carbothioamide
CID 17601333
N-(2-methoxy-1-methylethyl)-2-piperazin-1-yl-acetamide
CID 43130617
2-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 47014866
N-(2-methoxyethyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 53515145
1-methyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea
CID 59006480
1-methyl-3-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]urea
CID 59006575
1-Ethyl-3-(2-morpholin-4-yl-2-oxoethyl)urea
CID 59887644
N-(2-methoxyethyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 113103320

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-4-methyl-3-oxopiperazine-1-carbothioamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-4-methyl-3-oxopiperazine-1-carbothioamide (CID 115643150) is N-(1-methoxypropan-2-yl)-4-methyl-3-oxopiperazine-1-carbothioamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-4-methyl-3-oxopiperazine-1-carbothioamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-4-methyl-3-oxopiperazine-1-carbothioamide is COCC(C)NC(=S)N1CCN(C)C(=O)C1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-4-methyl-3-oxopiperazine-1-carbothioamide?
The InChIKey is NRLZNXTXWURBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-8(7-15-3)11-10(16)13-5-4-12(2)9(14)6-13/h8H,4-7H2,1-3H3,(H,11,16).
What are the key properties of N-(1-methoxypropan-2-yl)-4-methyl-3-oxopiperazine-1-carbothioamide?
N-(1-methoxypropan-2-yl)-4-methyl-3-oxopiperazine-1-carbothioamide has a molecular weight of 245.35 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-4-methyl-3-oxopiperazine-1-carbothioamide is sourced from PubChem (CID 115643150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).