N-(2-methyloxolan-3-yl)-4-sulfanylthiophene-2-carboxamide

C10H13NO2S2 — CID 107033632

IUPACN-(2-methyloxolan-3-yl)-4-sulfanylthiophene-2-carboxamide
SMILESCC1OCCC1NC(=O)c1cc(S)cs1
InChIInChI=1S/C10H13NO2S2/c1-6-8(2-3-13-6)11-10(12)9-4-7(14)5-15-9/h4-6,8,14H,2-3H2,1H3,(H,11,12)
InChIKeyNGJFTVVMUHMAAO-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.94
Rot. Bonds2

About N-(2-methyloxolan-3-yl)-4-sulfanylthiophene-2-carboxamide

N-(2-methyloxolan-3-yl)-4-sulfanylthiophene-2-carboxamide (PubChem CID 107033632) has the molecular formula C10H13NO2S2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(2-methyloxolan-3-yl)-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyloxolan-3-yl)-4-sulfanylthiophene-2-carboxamide
PubChem CID107033632
Molecular FormulaC10H13NO2S2
Molecular Weight243.35 g/mol
Exact Mass243.04
IUPAC NameN-(2-methyloxolan-3-yl)-4-sulfanylthiophene-2-carboxamide
SMILESCC1OCCC1NC(=O)c1cc(S)cs1
InChIInChI=1S/C10H13NO2S2/c1-6-8(2-3-13-6)11-10(12)9-4-7(14)5-15-9/h4-6,8,14H,2-3H2,1H3,(H,11,12)
InChIKeyNGJFTVVMUHMAAO-UHFFFAOYSA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyloxolan-3-yl)-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-(2-methyloxolan-3-yl)-4-sulfanylthiophene-2-carboxamide (CID 107033632) is N-(2-methyloxolan-3-yl)-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-methyloxolan-3-yl)-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-(2-methyloxolan-3-yl)-4-sulfanylthiophene-2-carboxamide is CC1OCCC1NC(=O)c1cc(S)cs1.
What is the InChIKey of N-(2-methyloxolan-3-yl)-4-sulfanylthiophene-2-carboxamide?
The InChIKey is NGJFTVVMUHMAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S2/c1-6-8(2-3-13-6)11-10(12)9-4-7(14)5-15-9/h4-6,8,14H,2-3H2,1H3,(H,11,12).
What are the key properties of N-(2-methyloxolan-3-yl)-4-sulfanylthiophene-2-carboxamide?
N-(2-methyloxolan-3-yl)-4-sulfanylthiophene-2-carboxamide has a molecular weight of 243.35 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyloxolan-3-yl)-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107033632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).