N'-(2-amino-2-sulfanylideneethyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]oxamide

C11H20N4O2S — CID 60857032

IUPACN'-(2-amino-2-sulfanylideneethyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]oxamide
SMILESCCN1CCC(CNC(=O)C(=O)NCC(N)=S)C1
InChIInChI=1S/C11H20N4O2S/c1-2-15-4-3-8(7-15)5-13-10(16)11(17)14-6-9(12)18/h8H,2-7H2,1H3,(H2,12,18)(H,13,16)(H,14,17)
InChIKeyVMVOGFAIBUQSJX-UHFFFAOYSA-N
MW272.37 g/mol
LogP-1.15
Rot. Bonds5

About N'-(2-amino-2-sulfanylideneethyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]oxamide

N'-(2-amino-2-sulfanylideneethyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]oxamide (PubChem CID 60857032) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N'-(2-amino-2-sulfanylideneethyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2-amino-2-sulfanylideneethyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]oxamide
PubChem CID60857032
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN'-(2-amino-2-sulfanylideneethyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]oxamide
SMILESCCN1CCC(CNC(=O)C(=O)NCC(N)=S)C1
InChIInChI=1S/C11H20N4O2S/c1-2-15-4-3-8(7-15)5-13-10(16)11(17)14-6-9(12)18/h8H,2-7H2,1H3,(H2,12,18)(H,13,16)(H,14,17)
InChIKeyVMVOGFAIBUQSJX-UHFFFAOYSA-N
XLogP-1.15
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
CID 162144356
2-amino-2-ethyl-N-[(1-ethylpyrrolidin-3-yl)methyl]butanamide
CID 79809539
1-cyclopropyl-3-[(1-ethylpyrrolidin-3-yl)methyl]thiourea
CID 115583628
2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylbutanamide
CID 79797123
ethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]acetate
CID 60856206
2-[4-(aminomethyl)cyclohexyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide
CID 63613060
2-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60862754
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119854746
2-amino-3-[(1-ethylpyrrolidin-3-yl)methylamino]propanamide
CID 103239633
N-(2-amino-2-sulfanylideneethyl)-N'-(1-methylpyrrolidin-3-yl)oxamide
CID 61465417
tert-butyl N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]carbamate
CID 70878490
(2S)-2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]hexanamide
CID 113304850

Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-2-sulfanylideneethyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]oxamide?
The IUPAC name of N'-(2-amino-2-sulfanylideneethyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]oxamide (CID 60857032) is N'-(2-amino-2-sulfanylideneethyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]oxamide.
What is the SMILES notation for N'-(2-amino-2-sulfanylideneethyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]oxamide?
The canonical SMILES for N'-(2-amino-2-sulfanylideneethyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]oxamide is CCN1CCC(CNC(=O)C(=O)NCC(N)=S)C1.
What is the InChIKey of N'-(2-amino-2-sulfanylideneethyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]oxamide?
The InChIKey is VMVOGFAIBUQSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-2-15-4-3-8(7-15)5-13-10(16)11(17)14-6-9(12)18/h8H,2-7H2,1H3,(H2,12,18)(H,13,16)(H,14,17).
What are the key properties of N'-(2-amino-2-sulfanylideneethyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]oxamide?
N'-(2-amino-2-sulfanylideneethyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]oxamide has a molecular weight of 272.37 g/mol, XLogP of -1.15, 5 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-[(1-ethylpyrrolidin-3-yl)methyl]oxamide is sourced from PubChem (CID 60857032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).