N'-(2-amino-2-sulfanylideneethyl)-N-[3-(dimethylamino)propyl]oxamide

C9H18N4O2S — CID 43316357

IUPACN'-(2-amino-2-sulfanylideneethyl)-N-[3-(dimethylamino)propyl]oxamide
SMILESCN(C)CCCNC(=O)C(=O)NCC(N)=S
InChIInChI=1S/C9H18N4O2S/c1-13(2)5-3-4-11-8(14)9(15)12-6-7(10)16/h3-6H2,1-2H3,(H2,10,16)(H,11,14)(H,12,15)
InChIKeyPWYSBYJRPCAQAA-UHFFFAOYSA-N
MW246.34 g/mol
LogP-1.54
Rot. Bonds6

About N'-(2-amino-2-sulfanylideneethyl)-N-[3-(dimethylamino)propyl]oxamide

N'-(2-amino-2-sulfanylideneethyl)-N-[3-(dimethylamino)propyl]oxamide (PubChem CID 43316357) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is N'-(2-amino-2-sulfanylideneethyl)-N-[3-(dimethylamino)propyl]oxamide.

Molecular Properties

Compound NameN'-(2-amino-2-sulfanylideneethyl)-N-[3-(dimethylamino)propyl]oxamide
PubChem CID43316357
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC NameN'-(2-amino-2-sulfanylideneethyl)-N-[3-(dimethylamino)propyl]oxamide
SMILESCN(C)CCCNC(=O)C(=O)NCC(N)=S
InChIInChI=1S/C9H18N4O2S/c1-13(2)5-3-4-11-8(14)9(15)12-6-7(10)16/h3-6H2,1-2H3,(H2,10,16)(H,11,14)(H,12,15)
InChIKeyPWYSBYJRPCAQAA-UHFFFAOYSA-N
XLogP-1.54
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-amino-2-sulfanylideneethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]oxamide
CID 114139140
N'-[3-(dimethylamino)propyl]-N-ethyloxamide
CID 45000040
N'-(2-chloroethyl)-N-[3-(dimethylamino)propyl]oxamide
CID 108513916
N'-(2-amino-2-sulfanylideneethyl)-N-(4-propan-2-yloxybutyl)oxamide
CID 106009959
N-[3-(dimethylamino)propyl]-N'-(3-ethoxypropyl)oxamide
CID 108505282
methyl 2-[[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]amino]acetate
CID 43316324
1-[3-(dimethylamino)propyl]-3-(hydroxymethyl)urea
CID 19885771
N'-[3-(dimethylamino)propyl]hexanediamide
CID 174324158
N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;2,3-dimethylbut-2-enamide
CID 139534789
N'-(2-amino-2-sulfanylideneethyl)-N-[2-(methylsulfamoyl)ethyl]oxamide
CID 114175469
3-(dimethylamino)propylcarbamic acid;hydrochloride
CID 87158282
N-(2-amino-2-sulfanylideneethyl)-N'-(2,2-dimethylpropyl)oxamide
CID 61167659

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-2-sulfanylideneethyl)-N-[3-(dimethylamino)propyl]oxamide?
The IUPAC name of N'-(2-amino-2-sulfanylideneethyl)-N-[3-(dimethylamino)propyl]oxamide (CID 43316357) is N'-(2-amino-2-sulfanylideneethyl)-N-[3-(dimethylamino)propyl]oxamide.
What is the SMILES notation for N'-(2-amino-2-sulfanylideneethyl)-N-[3-(dimethylamino)propyl]oxamide?
The canonical SMILES for N'-(2-amino-2-sulfanylideneethyl)-N-[3-(dimethylamino)propyl]oxamide is CN(C)CCCNC(=O)C(=O)NCC(N)=S.
What is the InChIKey of N'-(2-amino-2-sulfanylideneethyl)-N-[3-(dimethylamino)propyl]oxamide?
The InChIKey is PWYSBYJRPCAQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-13(2)5-3-4-11-8(14)9(15)12-6-7(10)16/h3-6H2,1-2H3,(H2,10,16)(H,11,14)(H,12,15).
What are the key properties of N'-(2-amino-2-sulfanylideneethyl)-N-[3-(dimethylamino)propyl]oxamide?
N'-(2-amino-2-sulfanylideneethyl)-N-[3-(dimethylamino)propyl]oxamide has a molecular weight of 246.34 g/mol, XLogP of -1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-2-sulfanylideneethyl)-N-[3-(dimethylamino)propyl]oxamide is sourced from PubChem (CID 43316357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).