3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-methyl-3-sulfanylidenepropanamide

C11H21N3O2S — CID 113407731

IUPAC3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-methyl-3-sulfanylidenepropanamide
SMILESCC(NC(=O)C(C)C(N)=S)C(=O)NC(C)(C)C
InChIInChI=1S/C11H21N3O2S/c1-6(8(12)17)9(15)13-7(2)10(16)14-11(3,4)5/h6-7H,1-5H3,(H2,12,17)(H,13,15)(H,14,16)
InChIKeyCZOFXRLJFNUHRB-UHFFFAOYSA-N
MW259.38 g/mol
LogP0.33
Rot. Bonds4

About 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-methyl-3-sulfanylidenepropanamide

3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-methyl-3-sulfanylidenepropanamide (PubChem CID 113407731) has the molecular formula C11H21N3O2S and a molecular weight of 259.38 g/mol. Its IUPAC name is 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-methyl-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-methyl-3-sulfanylidenepropanamide
PubChem CID113407731
Molecular FormulaC11H21N3O2S
Molecular Weight259.38 g/mol
Exact Mass259.14
IUPAC Name3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-methyl-3-sulfanylidenepropanamide
SMILESCC(NC(=O)C(C)C(N)=S)C(=O)NC(C)(C)C
InChIInChI=1S/C11H21N3O2S/c1-6(8(12)17)9(15)13-7(2)10(16)14-11(3,4)5/h6-7H,1-5H3,(H2,12,17)(H,13,15)(H,14,16)
InChIKeyCZOFXRLJFNUHRB-UHFFFAOYSA-N
XLogP0.33
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-methyl-3-sulfanylidenepropanamide 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-tert-butyl-2-[(2-chloroacetyl)amino]propanamide
CID 115879856
N-tert-butyl-2-(butylcarbamothioylamino)propanamide
CID 116509924
tert-butyl N-[1-(tert-butylamino)-1-oxopropan-2-yl]carbamate
CID 47152929
N-tert-butyl-2-(propan-2-ylamino)propanamide
CID 43086719
(2S)-2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-cyclopropylpropanamide
CID 112735424
2-[[(2S)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide
CID 104898367
N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopropanecarboxamide
CID 112684633
2-(3-aminopropylamino)-N-tert-butylpropanamide
CID 62274878
N-tert-butyl-2-[[2-(cyclopropylamino)acetyl]amino]propanamide
CID 112703978
N-(1-amino-1-sulfanylidenepropan-2-yl)-2,2-dimethylpropanamide
CID 61119877
N-tert-butyl-2-(2,2-dimethylhydrazinyl)propanamide
CID 83013632
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid
CID 65265565

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-methyl-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-methyl-3-sulfanylidenepropanamide (CID 113407731) is 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-methyl-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-methyl-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-methyl-3-sulfanylidenepropanamide is CC(NC(=O)C(C)C(N)=S)C(=O)NC(C)(C)C.
What is the InChIKey of 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-methyl-3-sulfanylidenepropanamide?
The InChIKey is CZOFXRLJFNUHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-6(8(12)17)9(15)13-7(2)10(16)14-11(3,4)5/h6-7H,1-5H3,(H2,12,17)(H,13,15)(H,14,16).
What are the key properties of 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-methyl-3-sulfanylidenepropanamide?
3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-methyl-3-sulfanylidenepropanamide has a molecular weight of 259.38 g/mol, XLogP of 0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-methyl-3-sulfanylidenepropanamide is sourced from PubChem (CID 113407731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).