N-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-methylthiophen-2-yl)ethyl]oxamide

C11H15N3O2S2 — CID 54953645

IUPACN-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-methylthiophen-2-yl)ethyl]oxamide
SMILESCc1ccc(C(C)NC(=O)C(=O)NCC(N)=S)s1
InChIInChI=1S/C11H15N3O2S2/c1-6-3-4-8(18-6)7(2)14-11(16)10(15)13-5-9(12)17/h3-4,7H,5H2,1-2H3,(H2,12,17)(H,13,15)(H,14,16)
InChIKeyIWGSSGZPUYRUHU-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.64
Rot. Bonds4

About N-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-methylthiophen-2-yl)ethyl]oxamide

N-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-methylthiophen-2-yl)ethyl]oxamide (PubChem CID 54953645) has the molecular formula C11H15N3O2S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-methylthiophen-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-methylthiophen-2-yl)ethyl]oxamide
PubChem CID54953645
Molecular FormulaC11H15N3O2S2
Molecular Weight285.39 g/mol
Exact Mass285.06
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-methylthiophen-2-yl)ethyl]oxamide
SMILESCc1ccc(C(C)NC(=O)C(=O)NCC(N)=S)s1
InChIInChI=1S/C11H15N3O2S2/c1-6-3-4-8(18-6)7(2)14-11(16)10(15)13-5-9(12)17/h3-4,7H,5H2,1-2H3,(H2,12,17)(H,13,15)(H,14,16)
InChIKeyIWGSSGZPUYRUHU-UHFFFAOYSA-N
XLogP0.64
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.64
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

N-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-chlorothiophen-2-yl)ethyl]oxamide
CID 54954733
N-(cyanomethyl)-N'-[1-(5-methylthiophen-2-yl)ethyl]oxamide
CID 54953799
1-(5-methylthiophen-2-yl)ethylthiourea
CID 61473975
1-(5-methylthiophen-2-yl)ethylurea
CID 61356567
2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 79812423
(2S)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pentanamide
CID 54954200
ethyl 2-[1-(5-methylthiophen-2-yl)ethylamino]butanoate
CID 64668783
3-amino-2,2,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 65269980
2-anilino-N-[1-(5-methylthiophen-2-yl)ethyl]acetamide
CID 61477645
5-carbamothioyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide
CID 63748667
(2S)-2-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]propanoic acid
CID 54953706
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 76921352

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-methylthiophen-2-yl)ethyl]oxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-methylthiophen-2-yl)ethyl]oxamide (CID 54953645) is N-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-methylthiophen-2-yl)ethyl]oxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-methylthiophen-2-yl)ethyl]oxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-methylthiophen-2-yl)ethyl]oxamide is Cc1ccc(C(C)NC(=O)C(=O)NCC(N)=S)s1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-methylthiophen-2-yl)ethyl]oxamide?
The InChIKey is IWGSSGZPUYRUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S2/c1-6-3-4-8(18-6)7(2)14-11(16)10(15)13-5-9(12)17/h3-4,7H,5H2,1-2H3,(H2,12,17)(H,13,15)(H,14,16).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-methylthiophen-2-yl)ethyl]oxamide?
N-(2-amino-2-sulfanylideneethyl)-N'-[1-(5-methylthiophen-2-yl)ethyl]oxamide has a molecular weight of 285.39 g/mol, XLogP of 0.64, 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'-[1-(5-methylthiophen-2-yl)ethyl]oxamide is sourced from PubChem (CID 54953645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).