2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-tert-butylacetamide

C9H19N3OS — CID 4962723

IUPAC2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-tert-butylacetamide
SMILESCN(CC(=O)NC(C)(C)C)CC(N)=S
InChIInChI=1S/C9H19N3OS/c1-9(2,3)11-8(13)6-12(4)5-7(10)14/h5-6H2,1-4H3,(H2,10,14)(H,11,13)
InChIKeyQQRIGBCPZQDAFB-UHFFFAOYSA-N
MW217.34 g/mol
LogP0.12
Rot. Bonds4

About 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-tert-butylacetamide

2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-tert-butylacetamide (PubChem CID 4962723) has the molecular formula C9H19N3OS and a molecular weight of 217.34 g/mol. Its IUPAC name is 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-tert-butylacetamide
PubChem CID4962723
Molecular FormulaC9H19N3OS
Molecular Weight217.34 g/mol
Exact Mass217.12
IUPAC Name2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-tert-butylacetamide
SMILESCN(CC(=O)NC(C)(C)C)CC(N)=S
InChIInChI=1S/C9H19N3OS/c1-9(2,3)11-8(13)6-12(4)5-7(10)14/h5-6H2,1-4H3,(H2,10,14)(H,11,13)
InChIKeyQQRIGBCPZQDAFB-UHFFFAOYSA-N
XLogP0.12
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 86908596
2-[(3-amino-4-methylpentyl)-methylamino]-N-tert-butylacetamide
CID 81490277
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 60730087
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclopentylacetamide
CID 60730257
2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N-tert-butylacetamide
CID 54997633
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cycloheptylacetamide
CID 55024099
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclohexylacetamide
CID 60729940
N-tert-butyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 54904322
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide
CID 8756770
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 34162909
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(2,4,5-trichlorophenyl)acetamide
CID 8756684
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-ethylphenyl)acetamide
CID 46614817

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-tert-butylacetamide?
The IUPAC name of 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-tert-butylacetamide (CID 4962723) is 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-tert-butylacetamide?
The canonical SMILES for 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-tert-butylacetamide is CN(CC(=O)NC(C)(C)C)CC(N)=S.
What is the InChIKey of 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-tert-butylacetamide?
The InChIKey is QQRIGBCPZQDAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3OS/c1-9(2,3)11-8(13)6-12(4)5-7(10)14/h5-6H2,1-4H3,(H2,10,14)(H,11,13).
What are the key properties of 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-tert-butylacetamide?
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-tert-butylacetamide has a molecular weight of 217.34 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-tert-butylacetamide is sourced from PubChem (CID 4962723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).