2-[(2-amino-2-oxoethyl)-(1-amino-1-sulfanylidenepropan-2-yl)amino]acetamide

C7H14N4O2S — CID 62922956

IUPAC2-[(2-amino-2-oxoethyl)-(1-amino-1-sulfanylidenepropan-2-yl)amino]acetamide
SMILESCC(C(N)=S)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C7H14N4O2S/c1-4(7(10)14)11(2-5(8)12)3-6(9)13/h4H,2-3H2,1H3,(H2,8,12)(H2,9,13)(H2,10,14)
InChIKeyMIBYUXFZDWUWCJ-UHFFFAOYSA-N
MW218.28 g/mol
LogP-2.07
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)-(1-amino-1-sulfanylidenepropan-2-yl)amino]acetamide

2-[(2-amino-2-oxoethyl)-(1-amino-1-sulfanylidenepropan-2-yl)amino]acetamide (PubChem CID 62922956) has the molecular formula C7H14N4O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(1-amino-1-sulfanylidenepropan-2-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(1-amino-1-sulfanylidenepropan-2-yl)amino]acetamide
PubChem CID62922956
Molecular FormulaC7H14N4O2S
Molecular Weight218.28 g/mol
Exact Mass218.08
IUPAC Name2-[(2-amino-2-oxoethyl)-(1-amino-1-sulfanylidenepropan-2-yl)amino]acetamide
SMILESCC(C(N)=S)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C7H14N4O2S/c1-4(7(10)14)11(2-5(8)12)3-6(9)13/h4H,2-3H2,1H3,(H2,8,12)(H2,9,13)(H2,10,14)
InChIKeyMIBYUXFZDWUWCJ-UHFFFAOYSA-N
XLogP-2.07
TPSA115.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-2.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propanoic acid
CID 122536186
tert-butyl 2-[bis(2-amino-2-oxoethyl)amino]propanoate
CID 66338147
2-[ethyl(propan-2-yl)amino]acetamide
CID 22371770
2-[bis(3-methylbutyl)amino]propanethioamide
CID 107869869
2-[(2-amino-2-oxoethyl)-(1-oxo-1-phenylpropan-2-yl)amino]acetamide
CID 62921694
2-[(2-amino-2-oxoethyl)-[1-(carbamoylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 107440766
2-[2-aminoethyl(propan-2-yl)amino]acetamide
CID 61348378
ethyl 3-[bis(2-amino-2-oxoethyl)amino]butanoate
CID 62922968
N-(4-aminophenyl)-2-[bis(2-amino-2-oxoethyl)amino]propanamide
CID 62921681
2-[propan-2-yl(3-sulfanylbutyl)amino]acetamide
CID 170206201
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanethioamide
CID 79380798
potassium [(2-amino-2-oxoethyl)-propan-2-ylamino]methyl-trifluoroboranuide
CID 63703594

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(1-amino-1-sulfanylidenepropan-2-yl)amino]acetamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(1-amino-1-sulfanylidenepropan-2-yl)amino]acetamide (CID 62922956) is 2-[(2-amino-2-oxoethyl)-(1-amino-1-sulfanylidenepropan-2-yl)amino]acetamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(1-amino-1-sulfanylidenepropan-2-yl)amino]acetamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(1-amino-1-sulfanylidenepropan-2-yl)amino]acetamide is CC(C(N)=S)N(CC(N)=O)CC(N)=O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(1-amino-1-sulfanylidenepropan-2-yl)amino]acetamide?
The InChIKey is MIBYUXFZDWUWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2S/c1-4(7(10)14)11(2-5(8)12)3-6(9)13/h4H,2-3H2,1H3,(H2,8,12)(H2,9,13)(H2,10,14).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(1-amino-1-sulfanylidenepropan-2-yl)amino]acetamide?
2-[(2-amino-2-oxoethyl)-(1-amino-1-sulfanylidenepropan-2-yl)amino]acetamide has a molecular weight of 218.28 g/mol, XLogP of -2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(1-amino-1-sulfanylidenepropan-2-yl)amino]acetamide is sourced from PubChem (CID 62922956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).