3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2-dimethyl-3-sulfanylidenepropanamide

C10H19N3O2S — CID 106277356

IUPAC3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2-dimethyl-3-sulfanylidenepropanamide
SMILESCC(C)(CNC(=O)C(C)(C)C(N)=S)C(N)=O
InChIInChI=1S/C10H19N3O2S/c1-9(2,6(11)14)5-13-8(15)10(3,4)7(12)16/h5H2,1-4H3,(H2,11,14)(H2,12,16)(H,13,15)
InChIKeyUWHJDLRMUTZJKG-UHFFFAOYSA-N
MW245.35 g/mol
LogP-0.07
Rot. Bonds5

About 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2-dimethyl-3-sulfanylidenepropanamide

3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2-dimethyl-3-sulfanylidenepropanamide (PubChem CID 106277356) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2-dimethyl-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2-dimethyl-3-sulfanylidenepropanamide
PubChem CID106277356
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2-dimethyl-3-sulfanylidenepropanamide
SMILESCC(C)(CNC(=O)C(C)(C)C(N)=S)C(N)=O
InChIInChI=1S/C10H19N3O2S/c1-9(2,6(11)14)5-13-8(15)10(3,4)7(12)16/h5H2,1-4H3,(H2,11,14)(H2,12,16)(H,13,15)
InChIKeyUWHJDLRMUTZJKG-UHFFFAOYSA-N
XLogP-0.07
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2-dimethylpropanamide
CID 103809518
3-amino-N-(2,2-difluoroethyl)-2,2-dimethyl-3-sulfanylidenepropanamide
CID 115407186
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2,3-trimethylbutanamide
CID 114167258
3-amino-2,2-dimethyl-3-sulfanylidene-N-(2,3,3-trimethylbutyl)propanamide
CID 83144311
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-oxoacetic acid
CID 104767621
3-hydrazinyl-2,2-dimethylpropanamide
CID 134242033
N-[2-[(3-amino-2,2-dimethyl-3-sulfanylidenepropanoyl)amino]ethyl]cyclopropanecarboxamide
CID 113481378
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 106279632
2,2-dimethyl-3-[[2-(methylamino)acetyl]amino]propanamide
CID 103809519
3-(3-aminopropanoylamino)-2,2-dimethylpropanamide
CID 103795627
N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-oxopentanamide
CID 106277105
3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-hydroxyimino-2,2-dimethylpropanamide
CID 114167670

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2-dimethyl-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2-dimethyl-3-sulfanylidenepropanamide (CID 106277356) is 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2-dimethyl-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2-dimethyl-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2-dimethyl-3-sulfanylidenepropanamide is CC(C)(CNC(=O)C(C)(C)C(N)=S)C(N)=O.
What is the InChIKey of 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2-dimethyl-3-sulfanylidenepropanamide?
The InChIKey is UWHJDLRMUTZJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-9(2,6(11)14)5-13-8(15)10(3,4)7(12)16/h5H2,1-4H3,(H2,11,14)(H2,12,16)(H,13,15).
What are the key properties of 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2-dimethyl-3-sulfanylidenepropanamide?
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2-dimethyl-3-sulfanylidenepropanamide has a molecular weight of 245.35 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2-dimethyl-3-sulfanylidenepropanamide is sourced from PubChem (CID 106277356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).