N-(4-amino-4-sulfanylidenebutan-2-yl)-2-thiophen-2-ylacetamide

C10H14N2OS2 — CID 62092047

IUPACN-(4-amino-4-sulfanylidenebutan-2-yl)-2-thiophen-2-ylacetamide
SMILESCC(CC(N)=S)NC(=O)Cc1cccs1
InChIInChI=1S/C10H14N2OS2/c1-7(5-9(11)14)12-10(13)6-8-3-2-4-15-8/h2-4,7H,5-6H2,1H3,(H2,11,14)(H,12,13)
InChIKeyZGWRWZXGVNEPQO-UHFFFAOYSA-N
MW242.37 g/mol
LogP1.47
Rot. Bonds5

About N-(4-amino-4-sulfanylidenebutan-2-yl)-2-thiophen-2-ylacetamide

N-(4-amino-4-sulfanylidenebutan-2-yl)-2-thiophen-2-ylacetamide (PubChem CID 62092047) has the molecular formula C10H14N2OS2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-(4-amino-4-sulfanylidenebutan-2-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(4-amino-4-sulfanylidenebutan-2-yl)-2-thiophen-2-ylacetamide
PubChem CID62092047
Molecular FormulaC10H14N2OS2
Molecular Weight242.37 g/mol
Exact Mass242.05
IUPAC NameN-(4-amino-4-sulfanylidenebutan-2-yl)-2-thiophen-2-ylacetamide
SMILESCC(CC(N)=S)NC(=O)Cc1cccs1
InChIInChI=1S/C10H14N2OS2/c1-7(5-9(11)14)12-10(13)6-8-3-2-4-15-8/h2-4,7H,5-6H2,1H3,(H2,11,14)(H,12,13)
InChIKeyZGWRWZXGVNEPQO-UHFFFAOYSA-N
XLogP1.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-1-sulfanylidenepropan-2-yl)-2-thiophen-2-ylacetamide
CID 61120272
N-[(2R)-1-hydroxypropan-2-yl]-2-thiophen-2-ylacetamide
CID 39086744
N-(1-chloropropan-2-yl)-2-thiophen-2-ylacetamide
CID 114299702
N-(1-aminoethyl)-2-thiophen-2-ylacetamide
CID 173143442
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-thiophen-2-ylacetamide
CID 61121759
N-[1-(4-methylphenoxy)propan-2-yl]-2-thiophen-2-ylacetamide
CID 47450824
(2R)-N-ethyl-2-[(2-thiophen-2-ylacetyl)amino]propanamide
CID 8750175
N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-thiophen-2-ylacetamide
CID 51947501
N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 94182945
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(3-fluorophenyl)acetamide
CID 62092603
N-[1-(2-methylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 47004762
N-[1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 47007711

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-sulfanylidenebutan-2-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(4-amino-4-sulfanylidenebutan-2-yl)-2-thiophen-2-ylacetamide (CID 62092047) is N-(4-amino-4-sulfanylidenebutan-2-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(4-amino-4-sulfanylidenebutan-2-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(4-amino-4-sulfanylidenebutan-2-yl)-2-thiophen-2-ylacetamide is CC(CC(N)=S)NC(=O)Cc1cccs1.
What is the InChIKey of N-(4-amino-4-sulfanylidenebutan-2-yl)-2-thiophen-2-ylacetamide?
The InChIKey is ZGWRWZXGVNEPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS2/c1-7(5-9(11)14)12-10(13)6-8-3-2-4-15-8/h2-4,7H,5-6H2,1H3,(H2,11,14)(H,12,13).
What are the key properties of N-(4-amino-4-sulfanylidenebutan-2-yl)-2-thiophen-2-ylacetamide?
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-thiophen-2-ylacetamide has a molecular weight of 242.37 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-sulfanylidenebutan-2-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 62092047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).