3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide

C11H16N2OS2 — CID 55134581

IUPAC3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide
SMILESCCCC(NC(=O)CC(N)=S)c1cccs1
InChIInChI=1S/C11H16N2OS2/c1-2-4-8(9-5-3-6-16-9)13-11(14)7-10(12)15/h3,5-6,8H,2,4,7H2,1H3,(H2,12,15)(H,13,14)
InChIKeyHBYYTORDRUUNKT-UHFFFAOYSA-N
MW256.40 g/mol
LogP2.38
Rot. Bonds6

About 3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide

3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide (PubChem CID 55134581) has the molecular formula C11H16N2OS2 and a molecular weight of 256.40 g/mol. Its IUPAC name is 3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide.

Molecular Properties

Compound Name3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide
PubChem CID55134581
Molecular FormulaC11H16N2OS2
Molecular Weight256.40 g/mol
Exact Mass256.07
IUPAC Name3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide
SMILESCCCC(NC(=O)CC(N)=S)c1cccs1
InChIInChI=1S/C11H16N2OS2/c1-2-4-8(9-5-3-6-16-9)13-11(14)7-10(12)15/h3,5-6,8H,2,4,7H2,1H3,(H2,12,15)(H,13,14)
InChIKeyHBYYTORDRUUNKT-UHFFFAOYSA-N
XLogP2.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 52.38
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

3-oxo-3-(1-thiophen-2-ylbutylamino)propanoic acid
CID 62231148
1-carbamothioyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide
CID 80589308
2,2-difluoro-N-(1-thiophen-2-ylbutyl)acetamide
CID 103515707
2-(3-aminophenyl)-N-(1-thiophen-2-ylbutyl)acetamide
CID 62498546
2-(aminomethyl)-N-(1-thiophen-2-ylbutyl)butanamide
CID 65229248
2-[4-(aminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylbutyl)acetamide
CID 115459676
2-bromo-N-(1-thiophen-2-ylbutyl)propanamide
CID 107904985
6-amino-N-(1-thiophen-2-ylbutyl)pyridazine-3-carboxamide
CID 62161925
(2R)-4-amino-4-oxo-2-(1-thiophen-2-ylbutylcarbamoylamino)butanoic acid
CID 107826912
(2S)-4-amino-4-oxo-2-(1-thiophen-2-ylbutylcarbamoylamino)butanoic acid
CID 63719214
2-(5-amino-2-oxo-1-pyridinyl)-N-(1-thiophen-2-ylbutyl)acetamide
CID 62816363
2-(5-amino-2-pyridinyl)-N-(1-thiophen-2-ylbutyl)acetamide
CID 107338504

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide?
The IUPAC name of 3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide (CID 55134581) is 3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide.
What is the SMILES notation for 3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide?
The canonical SMILES for 3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide is CCCC(NC(=O)CC(N)=S)c1cccs1.
What is the InChIKey of 3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide?
The InChIKey is HBYYTORDRUUNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS2/c1-2-4-8(9-5-3-6-16-9)13-11(14)7-10(12)15/h3,5-6,8H,2,4,7H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of 3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide?
3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide has a molecular weight of 256.40 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide is sourced from PubChem (CID 55134581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).