N-(2-amino-2-sulfanylideneethyl)-N'-cyclopentyl-N'-methyloxamide

C10H17N3O2S — CID 43316466

IUPACN-(2-amino-2-sulfanylideneethyl)-N'-cyclopentyl-N'-methyloxamide
SMILESCN(C(=O)C(=O)NCC(N)=S)C1CCCC1
InChIInChI=1S/C10H17N3O2S/c1-13(7-4-2-3-5-7)10(15)9(14)12-6-8(11)16/h7H,2-6H2,1H3,(H2,11,16)(H,12,14)
InChIKeyNNIZJYCMEHJZRD-UHFFFAOYSA-N
MW243.33 g/mol
LogP-0.21
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)-N'-cyclopentyl-N'-methyloxamide

N-(2-amino-2-sulfanylideneethyl)-N'-cyclopentyl-N'-methyloxamide (PubChem CID 43316466) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N'-cyclopentyl-N'-methyloxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N'-cyclopentyl-N'-methyloxamide
PubChem CID43316466
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N'-cyclopentyl-N'-methyloxamide
SMILESCN(C(=O)C(=O)NCC(N)=S)C1CCCC1
InChIInChI=1S/C10H17N3O2S/c1-13(7-4-2-3-5-7)10(15)9(14)12-6-8(11)16/h7H,2-6H2,1H3,(H2,11,16)(H,12,14)
InChIKeyNNIZJYCMEHJZRD-UHFFFAOYSA-N
XLogP-0.21
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(4-methylcyclohexyl)oxamide
CID 61437710
N-(2-chloroethyl)-N'-cyclohexyl-N'-methyloxamide
CID 108503671
N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(oxan-3-ylmethyl)oxamide
CID 63707704
methyl 2-[[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955740
N'-cyclohexyl-N-(3-ethoxypropyl)-N'-methyloxamide
CID 108503625
N-(2-amino-2-sulfanylideneethyl)cyclooctanecarboxamide
CID 65018324
N-(cyanomethyl)-N'-cyclopropyl-N'-methyloxamide
CID 43316269
1-cyclooctyl-1-methylurea
CID 126989312
N-(2-amino-2-sulfanylideneethyl)-N'-(2-methylsulfanylcyclopentyl)oxamide
CID 114121578
N-(2-amino-2-sulfanylideneethyl)-N'-(2-hydroxycycloheptyl)oxamide
CID 113394784
N-cyclohexyl-N-methyl-2-oxopropanamide
CID 115175558
N-(2-amino-2-sulfanylideneethyl)-N'-(3-ethylcyclohexyl)oxamide
CID 64748437

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-cyclopentyl-N'-methyloxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-cyclopentyl-N'-methyloxamide (CID 43316466) is N-(2-amino-2-sulfanylideneethyl)-N'-cyclopentyl-N'-methyloxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N'-cyclopentyl-N'-methyloxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N'-cyclopentyl-N'-methyloxamide is CN(C(=O)C(=O)NCC(N)=S)C1CCCC1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N'-cyclopentyl-N'-methyloxamide?
The InChIKey is NNIZJYCMEHJZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-13(7-4-2-3-5-7)10(15)9(14)12-6-8(11)16/h7H,2-6H2,1H3,(H2,11,16)(H,12,14).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N'-cyclopentyl-N'-methyloxamide?
N-(2-amino-2-sulfanylideneethyl)-N'-cyclopentyl-N'-methyloxamide has a molecular weight of 243.33 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N'-cyclopentyl-N'-methyloxamide is sourced from PubChem (CID 43316466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).