N-(2-amino-2-sulfanylideneethyl)-N'-[(1-methylcyclopentyl)methyl]oxamide

C11H19N3O2S — CID 55261793

IUPACN-(2-amino-2-sulfanylideneethyl)-N'-[(1-methylcyclopentyl)methyl]oxamide
SMILESCC1(CNC(=O)C(=O)NCC(N)=S)CCCC1
InChIInChI=1S/C11H19N3O2S/c1-11(4-2-3-5-11)7-14-10(16)9(15)13-6-8(12)17/h2-7H2,1H3,(H2,12,17)(H,13,15)(H,14,16)
InChIKeyIFEQUFOZSIMRGI-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.09
Rot. Bonds4

About N-(2-amino-2-sulfanylideneethyl)-N'-[(1-methylcyclopentyl)methyl]oxamide

N-(2-amino-2-sulfanylideneethyl)-N'-[(1-methylcyclopentyl)methyl]oxamide (PubChem CID 55261793) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N'-[(1-methylcyclopentyl)methyl]oxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N'-[(1-methylcyclopentyl)methyl]oxamide
PubChem CID55261793
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N'-[(1-methylcyclopentyl)methyl]oxamide
SMILESCC1(CNC(=O)C(=O)NCC(N)=S)CCCC1
InChIInChI=1S/C11H19N3O2S/c1-11(4-2-3-5-11)7-14-10(16)9(15)13-6-8(12)17/h2-7H2,1H3,(H2,12,17)(H,13,15)(H,14,16)
InChIKeyIFEQUFOZSIMRGI-UHFFFAOYSA-N
XLogP0.09
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.09
H-Bond Donors ≤ 53
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-[(1-methylcycloheptyl)methyl]acetamide
CID 127751208
propan-2-yl N-[(1-methylcyclopentyl)methyl]carbamate
CID 116656090
2,3-dimethyl-4-[(1-methylcyclopentyl)methylamino]-4-oxobut-2-enoic acid
CID 77020299
1-carbamothioyl-N-[(1-methylcyclobutyl)methyl]cyclohexane-1-carboxamide
CID 114107998
methyl 2-[[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]amino]acetate
CID 43316324
2-[(1-methylcyclobutyl)methylamino]acetamide
CID 107095554
N-(2-amino-2-sulfanylideneethyl)-N'-(2,2-dimethylpropyl)oxamide
CID 61167659
2-amino-N-[(1-methylcyclohexyl)methyl]propanamide
CID 103798125
(2R)-2-amino-N-[(1-methylcyclohexyl)methyl]propanamide
CID 103798136
2,2-difluoro-N-[(1-methylcyclopentyl)methyl]acetamide
CID 103515473
2-amino-N-[2-[(1-methylcyclobutyl)methylamino]-2-oxoethyl]acetamide
CID 104872531
N-(2-amino-2-sulfanylideneethyl)propanamide
CID 61126887

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-[(1-methylcyclopentyl)methyl]oxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-[(1-methylcyclopentyl)methyl]oxamide (CID 55261793) is N-(2-amino-2-sulfanylideneethyl)-N'-[(1-methylcyclopentyl)methyl]oxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N'-[(1-methylcyclopentyl)methyl]oxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N'-[(1-methylcyclopentyl)methyl]oxamide is CC1(CNC(=O)C(=O)NCC(N)=S)CCCC1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N'-[(1-methylcyclopentyl)methyl]oxamide?
The InChIKey is IFEQUFOZSIMRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-11(4-2-3-5-11)7-14-10(16)9(15)13-6-8(12)17/h2-7H2,1H3,(H2,12,17)(H,13,15)(H,14,16).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N'-[(1-methylcyclopentyl)methyl]oxamide?
N-(2-amino-2-sulfanylideneethyl)-N'-[(1-methylcyclopentyl)methyl]oxamide has a molecular weight of 257.36 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N'-[(1-methylcyclopentyl)methyl]oxamide is sourced from PubChem (CID 55261793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).