N-(3-butylthiophen-2-yl)-2-sulfanylideneacetamide

C10H13NOS2 — CID 54310016

IUPACN-(3-butylthiophen-2-yl)-2-sulfanylideneacetamide
SMILESCCCCc1ccsc1NC(=O)C=S
InChIInChI=1S/C10H13NOS2/c1-2-3-4-8-5-6-14-10(8)11-9(12)7-13/h5-7H,2-4H2,1H3,(H,11,12)
InChIKeySKFFNUZJQSYROZ-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.03
Rot. Bonds5

About N-(3-butylthiophen-2-yl)-2-sulfanylideneacetamide

N-(3-butylthiophen-2-yl)-2-sulfanylideneacetamide (PubChem CID 54310016) has the molecular formula C10H13NOS2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(3-butylthiophen-2-yl)-2-sulfanylideneacetamide.

Molecular Properties

Compound NameN-(3-butylthiophen-2-yl)-2-sulfanylideneacetamide
PubChem CID54310016
Molecular FormulaC10H13NOS2
Molecular Weight227.35 g/mol
Exact Mass227.04
IUPAC NameN-(3-butylthiophen-2-yl)-2-sulfanylideneacetamide
SMILESCCCCc1ccsc1NC(=O)C=S
InChIInChI=1S/C10H13NOS2/c1-2-3-4-8-5-6-14-10(8)11-9(12)7-13/h5-7H,2-4H2,1H3,(H,11,12)
InChIKeySKFFNUZJQSYROZ-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-butylthiophen-2-yl)-2-sulfanylideneacetamide?
The IUPAC name of N-(3-butylthiophen-2-yl)-2-sulfanylideneacetamide (CID 54310016) is N-(3-butylthiophen-2-yl)-2-sulfanylideneacetamide.
What is the SMILES notation for N-(3-butylthiophen-2-yl)-2-sulfanylideneacetamide?
The canonical SMILES for N-(3-butylthiophen-2-yl)-2-sulfanylideneacetamide is CCCCc1ccsc1NC(=O)C=S.
What is the InChIKey of N-(3-butylthiophen-2-yl)-2-sulfanylideneacetamide?
The InChIKey is SKFFNUZJQSYROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS2/c1-2-3-4-8-5-6-14-10(8)11-9(12)7-13/h5-7H,2-4H2,1H3,(H,11,12).
What are the key properties of N-(3-butylthiophen-2-yl)-2-sulfanylideneacetamide?
N-(3-butylthiophen-2-yl)-2-sulfanylideneacetamide has a molecular weight of 227.35 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butylthiophen-2-yl)-2-sulfanylideneacetamide is sourced from PubChem (CID 54310016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).