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

C10H17N3O2S2 — CID 114121578

IUPACN-(2-amino-2-sulfanylideneethyl)-N'-(2-methylsulfanylcyclopentyl)oxamide
SMILESCSC1CCCC1NC(=O)C(=O)NCC(N)=S
InChIInChI=1S/C10H17N3O2S2/c1-17-7-4-2-3-6(7)13-10(15)9(14)12-5-8(11)16/h6-7H,2-5H2,1H3,(H2,11,16)(H,12,14)(H,13,15)
InChIKeyVVLPCZLYNXERMS-UHFFFAOYSA-N
MW275.40 g/mol
LogP-0.21
Rot. Bonds4

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

N-(2-amino-2-sulfanylideneethyl)-N'-(2-methylsulfanylcyclopentyl)oxamide (PubChem CID 114121578) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N'-(2-methylsulfanylcyclopentyl)oxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N'-(2-methylsulfanylcyclopentyl)oxamide
PubChem CID114121578
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N'-(2-methylsulfanylcyclopentyl)oxamide
SMILESCSC1CCCC1NC(=O)C(=O)NCC(N)=S
InChIInChI=1S/C10H17N3O2S2/c1-17-7-4-2-3-6(7)13-10(15)9(14)12-5-8(11)16/h6-7H,2-5H2,1H3,(H2,11,16)(H,12,14)(H,13,15)
InChIKeyVVLPCZLYNXERMS-UHFFFAOYSA-N
XLogP-0.21
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 5-0.21
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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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(2-methylsulfanylcyclopentyl)oxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(2-methylsulfanylcyclopentyl)oxamide (CID 114121578) is N-(2-amino-2-sulfanylideneethyl)-N'-(2-methylsulfanylcyclopentyl)oxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N'-(2-methylsulfanylcyclopentyl)oxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N'-(2-methylsulfanylcyclopentyl)oxamide is CSC1CCCC1NC(=O)C(=O)NCC(N)=S.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N'-(2-methylsulfanylcyclopentyl)oxamide?
The InChIKey is VVLPCZLYNXERMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-17-7-4-2-3-6(7)13-10(15)9(14)12-5-8(11)16/h6-7H,2-5H2,1H3,(H2,11,16)(H,12,14)(H,13,15).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N'-(2-methylsulfanylcyclopentyl)oxamide?
N-(2-amino-2-sulfanylideneethyl)-N'-(2-methylsulfanylcyclopentyl)oxamide has a molecular weight of 275.40 g/mol, XLogP of -0.21, 4 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'-(2-methylsulfanylcyclopentyl)oxamide is sourced from PubChem (CID 114121578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).