N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-thiophen-2-ylbutanamide

C13H20N2OS2 — CID 61120765

IUPACN-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-thiophen-2-ylbutanamide
SMILESCCC(C)(NC(=O)CCCc1cccs1)C(N)=S
InChIInChI=1S/C13H20N2OS2/c1-3-13(2,12(14)17)15-11(16)8-4-6-10-7-5-9-18-10/h5,7,9H,3-4,6,8H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeyUVSKXVAIERPVFM-UHFFFAOYSA-N
MW284.45 g/mol
LogP2.64
Rot. Bonds7

About N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-thiophen-2-ylbutanamide

N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-thiophen-2-ylbutanamide (PubChem CID 61120765) has the molecular formula C13H20N2OS2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-thiophen-2-ylbutanamide
PubChem CID61120765
Molecular FormulaC13H20N2OS2
Molecular Weight284.45 g/mol
Exact Mass284.10
IUPAC NameN-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-thiophen-2-ylbutanamide
SMILESCCC(C)(NC(=O)CCCc1cccs1)C(N)=S
InChIInChI=1S/C13H20N2OS2/c1-3-13(2,12(14)17)15-11(16)8-4-6-10-7-5-9-18-10/h5,7,9H,3-4,6,8H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeyUVSKXVAIERPVFM-UHFFFAOYSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 52.64
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-2-methyl-1-sulfanylidenebutan-2-yl)-4-phenylbutanamide
CID 61120224
2-methyl-2-(4-thiophen-2-ylbutanoylamino)propanoic acid
CID 61261493
N-(2-hydroxy-2-methylpropyl)-4-thiophen-2-ylbutanamide
CID 65109989
N-[2-ethyl-2-(hydroxymethyl)butyl]-4-thiophen-2-ylbutanamide
CID 103843539
N-[dimethoxy(phenyl)methyl]-4-thiophen-2-ylbutanamide
CID 118472387
N-[2-(bromomethyl)-2-ethylbutyl]-4-thiophen-2-ylbutanamide
CID 114164697
5-thiophen-2-ylpentanehydrazide
CID 70194284
N-hexyl-4-thiophen-2-ylbutanamide
CID 134055852
ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate
CID 61343312
N-(1-amino-2-cyclopropylpropan-2-yl)-6-thiophen-2-ylhexanamide;hydrochloride
CID 119573045
4-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)butanamide
CID 81340698
N-(2-methylpropoxy)-4-thiophen-2-ylbutanamide
CID 115409895

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-thiophen-2-ylbutanamide (CID 61120765) is N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-thiophen-2-ylbutanamide is CCC(C)(NC(=O)CCCc1cccs1)C(N)=S.
What is the InChIKey of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-thiophen-2-ylbutanamide?
The InChIKey is UVSKXVAIERPVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS2/c1-3-13(2,12(14)17)15-11(16)8-4-6-10-7-5-9-18-10/h5,7,9H,3-4,6,8H2,1-2H3,(H2,14,17)(H,15,16).
What are the key properties of N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-thiophen-2-ylbutanamide?
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-thiophen-2-ylbutanamide has a molecular weight of 284.45 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 61120765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).