N-(2-amino-2-sulfanylideneethyl)-N'-(2-hydroxycycloheptyl)oxamide

C11H19N3O3S — CID 113394784

IUPACN-(2-amino-2-sulfanylideneethyl)-N'-(2-hydroxycycloheptyl)oxamide
SMILESNC(=S)CNC(=O)C(=O)NC1CCCCCC1O
InChIInChI=1S/C11H19N3O3S/c12-9(18)6-13-10(16)11(17)14-7-4-2-1-3-5-8(7)15/h7-8,15H,1-6H2,(H2,12,18)(H,13,16)(H,14,17)
InChIKeyMRDMFAAVWFKEMW-UHFFFAOYSA-N
MW273.36 g/mol
LogP-0.80
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)-N'-(2-hydroxycycloheptyl)oxamide

N-(2-amino-2-sulfanylideneethyl)-N'-(2-hydroxycycloheptyl)oxamide (PubChem CID 113394784) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N'-(2-hydroxycycloheptyl)oxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N'-(2-hydroxycycloheptyl)oxamide
PubChem CID113394784
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N'-(2-hydroxycycloheptyl)oxamide
SMILESNC(=S)CNC(=O)C(=O)NC1CCCCCC1O
InChIInChI=1S/C11H19N3O3S/c12-9(18)6-13-10(16)11(17)14-7-4-2-1-3-5-8(7)15/h7-8,15H,1-6H2,(H2,12,18)(H,13,16)(H,14,17)
InChIKeyMRDMFAAVWFKEMW-UHFFFAOYSA-N
XLogP-0.80
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
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

N-(2-amino-2-sulfanylideneethyl)-N'-(2-methylsulfanylcyclopentyl)oxamide
CID 114121578
3-amino-N-(2-hydroxycyclopentyl)-3-sulfanylidenepropanamide
CID 127002118
N-(2-amino-2-sulfanylideneethyl)cyclooctanecarboxamide
CID 65018324
N-(2-amino-2-sulfanylideneethyl)-N'-[2-(cyclopropylamino)-2-oxoethyl]oxamide
CID 43568518
2-hydroxy-N-[(1R,2R)-2-hydroxycycloheptyl]acetamide
CID 130693023
2-acetamido-N-[(1S,2S)-2-hydroxycyclooctyl]acetamide
CID 146041857
N-(2-amino-2-sulfanylideneethyl)-N'-(3-ethylcyclohexyl)oxamide
CID 64748437
N-[(1S,2S)-2-hydroxycycloheptyl]acetamide
CID 101001127
2-[(2-hydroxycycloheptyl)amino]ethylurea
CID 83121315
N-(2-amino-2-sulfanylideneethyl)-N'-cyclopentyl-N'-methyloxamide
CID 43316466
N-[(1S,2S)-2-hydroxycyclooctyl]cyclopropanecarboxamide
CID 146041512
2,2,2-trifluoro-N-(2-hydroxycyclohexyl)acetamide
CID 62360896

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(2-hydroxycycloheptyl)oxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(2-hydroxycycloheptyl)oxamide (CID 113394784) is N-(2-amino-2-sulfanylideneethyl)-N'-(2-hydroxycycloheptyl)oxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N'-(2-hydroxycycloheptyl)oxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N'-(2-hydroxycycloheptyl)oxamide is NC(=S)CNC(=O)C(=O)NC1CCCCCC1O.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N'-(2-hydroxycycloheptyl)oxamide?
The InChIKey is MRDMFAAVWFKEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c12-9(18)6-13-10(16)11(17)14-7-4-2-1-3-5-8(7)15/h7-8,15H,1-6H2,(H2,12,18)(H,13,16)(H,14,17).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N'-(2-hydroxycycloheptyl)oxamide?
N-(2-amino-2-sulfanylideneethyl)-N'-(2-hydroxycycloheptyl)oxamide has a molecular weight of 273.36 g/mol, XLogP of -0.80, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N'-(2-hydroxycycloheptyl)oxamide is sourced from PubChem (CID 113394784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).