N-(3-thiophen-2-ylsulfanylpropyl)acetamide

C9H13NOS2 — CID 58169495

IUPACN-(3-thiophen-2-ylsulfanylpropyl)acetamide
SMILESCC(=O)NCCCSc1cccs1
InChIInChI=1S/C9H13NOS2/c1-8(11)10-5-3-7-13-9-4-2-6-12-9/h2,4,6H,3,5,7H2,1H3,(H,10,11)
InChIKeyOOKBMXOGHBUMDT-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.37
Rot. Bonds5

About N-(3-thiophen-2-ylsulfanylpropyl)acetamide

N-(3-thiophen-2-ylsulfanylpropyl)acetamide (PubChem CID 58169495) has the molecular formula C9H13NOS2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(3-thiophen-2-ylsulfanylpropyl)acetamide.

Molecular Properties

Compound NameN-(3-thiophen-2-ylsulfanylpropyl)acetamide
PubChem CID58169495
Molecular FormulaC9H13NOS2
Molecular Weight215.34 g/mol
Exact Mass215.04
IUPAC NameN-(3-thiophen-2-ylsulfanylpropyl)acetamide
SMILESCC(=O)NCCCSc1cccs1
InChIInChI=1S/C9H13NOS2/c1-8(11)10-5-3-7-13-9-4-2-6-12-9/h2,4,6H,3,5,7H2,1H3,(H,10,11)
InChIKeyOOKBMXOGHBUMDT-UHFFFAOYSA-N
XLogP2.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-hydroxyphenyl)sulfanylpropyl]acetamide
CID 71981298
1-thiophen-2-ylsulfanylpropan-2-one
CID 521033
5-thiophen-2-ylsulfanylpentanehydrazide
CID 63580812
N-(6-hydroxyhexyl)-2-thiophen-2-ylsulfanylacetamide
CID 103919645
2-methyl-4-thiophen-2-ylsulfanylbutan-2-ol
CID 79361582
2-ethyl-2-(ethylamino)-5-thiophen-2-ylsulfanylpentanoic acid
CID 106807267
6-acetamido-N,N-bis(thiophen-2-ylmethyl)hexanamide
CID 173199914
N-propyl-5-thiophen-2-ylsulfanylpentan-2-amine
CID 64612532
N-(2-thiophen-2-ylsulfanylethyl)hexan-1-amine
CID 62576495
methyl 2-(propylamino)-4-thiophen-2-ylsulfanylbutanoate
CID 63034472
ethyl 2-(propylamino)-4-thiophen-2-ylsulfanylbutanoate
CID 63034297
2-(cyclopropylamino)-2-ethyl-5-thiophen-2-ylsulfanylpentanoic acid
CID 106807269

Frequently Asked Questions

What is the IUPAC name of N-(3-thiophen-2-ylsulfanylpropyl)acetamide?
The IUPAC name of N-(3-thiophen-2-ylsulfanylpropyl)acetamide (CID 58169495) is N-(3-thiophen-2-ylsulfanylpropyl)acetamide.
What is the SMILES notation for N-(3-thiophen-2-ylsulfanylpropyl)acetamide?
The canonical SMILES for N-(3-thiophen-2-ylsulfanylpropyl)acetamide is CC(=O)NCCCSc1cccs1.
What is the InChIKey of N-(3-thiophen-2-ylsulfanylpropyl)acetamide?
The InChIKey is OOKBMXOGHBUMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS2/c1-8(11)10-5-3-7-13-9-4-2-6-12-9/h2,4,6H,3,5,7H2,1H3,(H,10,11).
What are the key properties of N-(3-thiophen-2-ylsulfanylpropyl)acetamide?
N-(3-thiophen-2-ylsulfanylpropyl)acetamide has a molecular weight of 215.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-thiophen-2-ylsulfanylpropyl)acetamide is sourced from PubChem (CID 58169495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).