[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] N'-aminocarbamimidothioate

C9H17N5O2S — CID 77061118

IUPAC[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] N'-aminocarbamimidothioate
SMILESCN(CC(=O)NC1CC1)C(=O)CSC(N)=NN
InChIInChI=1S/C9H17N5O2S/c1-14(4-7(15)12-6-2-3-6)8(16)5-17-9(10)13-11/h6H,2-5,11H2,1H3,(H2,10,13)(H,12,15)
InChIKeyQVPPPTTZKAQMPO-UHFFFAOYSA-N
MW259.33 g/mol
LogP-1.36
Rot. Bonds5

About [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] N'-aminocarbamimidothioate

[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] N'-aminocarbamimidothioate (PubChem CID 77061118) has the molecular formula C9H17N5O2S and a molecular weight of 259.33 g/mol. Its IUPAC name is [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] N'-aminocarbamimidothioate.

Molecular Properties

Compound Name[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] N'-aminocarbamimidothioate
PubChem CID77061118
Molecular FormulaC9H17N5O2S
Molecular Weight259.33 g/mol
Exact Mass259.11
IUPAC Name[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] N'-aminocarbamimidothioate
SMILESCN(CC(=O)NC1CC1)C(=O)CSC(N)=NN
InChIInChI=1S/C9H17N5O2S/c1-14(4-7(15)12-6-2-3-6)8(16)5-17-9(10)13-11/h6H,2-5,11H2,1H3,(H2,10,13)(H,12,15)
InChIKeyQVPPPTTZKAQMPO-UHFFFAOYSA-N
XLogP-1.36
TPSA113.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] N'-aminocarbamimidothioate 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-cyclopropyl-2-[(N'-hydroxycarbamimidoyl)-methylamino]acetamide
CID 76944463
(2R)-2-amino-3-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanylpropanoic acid
CID 61142278
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
CID 43579629
N-cyclopropyl-2-[[2-(1-hydroxypropan-2-ylsulfanyl)acetyl]-methylamino]acetamide
CID 112695476
N-cyclopropyl-2-[[2-(2,3-dihydroxypropylsulfanyl)acetyl]-methylamino]acetamide
CID 79682428
2-[[2-[bis(2-hydroxyethyl)amino]acetyl]-methylamino]-N-cyclopropylacetamide
CID 60686591
2-[[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide
CID 102630077
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] N'-aminocarbamimidothioate
CID 77060858
2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide
CID 9416949
[3-(cyclohexylamino)-3-oxopropyl] N'-aminocarbamimidothioate
CID 77060099
2-[[2-(2-aminoethoxy)acetyl]-methylamino]-N-cyclopropylacetamide
CID 79473534
2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid
CID 55003311

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] N'-aminocarbamimidothioate?
The IUPAC name of [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] N'-aminocarbamimidothioate (CID 77061118) is [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] N'-aminocarbamimidothioate.
What is the SMILES notation for [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] N'-aminocarbamimidothioate?
The canonical SMILES for [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] N'-aminocarbamimidothioate is CN(CC(=O)NC1CC1)C(=O)CSC(N)=NN.
What is the InChIKey of [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] N'-aminocarbamimidothioate?
The InChIKey is QVPPPTTZKAQMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2S/c1-14(4-7(15)12-6-2-3-6)8(16)5-17-9(10)13-11/h6H,2-5,11H2,1H3,(H2,10,13)(H,12,15).
What are the key properties of [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] N'-aminocarbamimidothioate?
[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] N'-aminocarbamimidothioate has a molecular weight of 259.33 g/mol, XLogP of -1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] N'-aminocarbamimidothioate is sourced from PubChem (CID 77061118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).