N-(1-amino-1-sulfanylidenepentan-3-yl)-2-thiophen-3-ylacetamide

C11H16N2OS2 — CID 62652889

IUPACN-(1-amino-1-sulfanylidenepentan-3-yl)-2-thiophen-3-ylacetamide
SMILESCCC(CC(N)=S)NC(=O)Cc1ccsc1
InChIInChI=1S/C11H16N2OS2/c1-2-9(6-10(12)15)13-11(14)5-8-3-4-16-7-8/h3-4,7,9H,2,5-6H2,1H3,(H2,12,15)(H,13,14)
InChIKeyCEPVCJIMZZKLAE-UHFFFAOYSA-N
MW256.40 g/mol
LogP1.86
Rot. Bonds6

About N-(1-amino-1-sulfanylidenepentan-3-yl)-2-thiophen-3-ylacetamide

N-(1-amino-1-sulfanylidenepentan-3-yl)-2-thiophen-3-ylacetamide (PubChem CID 62652889) has the molecular formula C11H16N2OS2 and a molecular weight of 256.40 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenepentan-3-yl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenepentan-3-yl)-2-thiophen-3-ylacetamide
PubChem CID62652889
Molecular FormulaC11H16N2OS2
Molecular Weight256.40 g/mol
Exact Mass256.07
IUPAC NameN-(1-amino-1-sulfanylidenepentan-3-yl)-2-thiophen-3-ylacetamide
SMILESCCC(CC(N)=S)NC(=O)Cc1ccsc1
InChIInChI=1S/C11H16N2OS2/c1-2-9(6-10(12)15)13-11(14)5-8-3-4-16-7-8/h3-4,7,9H,2,5-6H2,1H3,(H2,12,15)(H,13,14)
InChIKeyCEPVCJIMZZKLAE-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
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-[(2R)-1-hydroxybutan-2-yl]-2-thiophen-3-ylacetamide
CID 103920243
(2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 28777850
ethyl 3-phenyl-2-[(2-thiophen-3-ylacetyl)amino]propanoate
CID 110183706
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-thiophen-3-ylacetamide
CID 61123402
N-(1-amino-1-sulfanylidenepentan-3-yl)hexanamide
CID 62651450
3-hydroxy-2-[(2-thiophen-3-ylacetyl)amino]butanoic acid
CID 43183385
4-amino-1-thiophen-3-ylheptan-2-one
CID 116607941
N-(1-amino-1-sulfanylidenepentan-3-yl)-2,6-dihydroxybenzamide
CID 107688701
[(2S)-2-methylbutyl] 2-thiophen-3-ylacetate
CID 101245181
4-amino-5-methyl-1-thiophen-3-ylhexan-2-one
CID 116606372
2-[[(2-thiophen-3-ylacetyl)amino]methyl]butanoic acid
CID 65219165
5-phenyl-4-[(2-thiophen-3-ylacetyl)amino]pentanoic acid
CID 120547119

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenepentan-3-yl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(1-amino-1-sulfanylidenepentan-3-yl)-2-thiophen-3-ylacetamide (CID 62652889) is N-(1-amino-1-sulfanylidenepentan-3-yl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenepentan-3-yl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenepentan-3-yl)-2-thiophen-3-ylacetamide is CCC(CC(N)=S)NC(=O)Cc1ccsc1.
What is the InChIKey of N-(1-amino-1-sulfanylidenepentan-3-yl)-2-thiophen-3-ylacetamide?
The InChIKey is CEPVCJIMZZKLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS2/c1-2-9(6-10(12)15)13-11(14)5-8-3-4-16-7-8/h3-4,7,9H,2,5-6H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of N-(1-amino-1-sulfanylidenepentan-3-yl)-2-thiophen-3-ylacetamide?
N-(1-amino-1-sulfanylidenepentan-3-yl)-2-thiophen-3-ylacetamide has a molecular weight of 256.40 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenepentan-3-yl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 62652889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).