N-(oxolan-2-ylmethylcarbamothioyl)thiophene-2-carboxamide

C11H14N2O2S2 — CID 2907688

IUPACN-(oxolan-2-ylmethylcarbamothioyl)thiophene-2-carboxamide
SMILESO=C(NC(=S)NCC1CCCO1)c1cccs1
InChIInChI=1S/C11H14N2O2S2/c14-10(9-4-2-6-17-9)13-11(16)12-7-8-3-1-5-15-8/h2,4,6,8H,1,3,5,7H2,(H2,12,13,14,16)
InChIKeyJRQIQTUYXFSTQO-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.53
Rot. Bonds3

About N-(oxolan-2-ylmethylcarbamothioyl)thiophene-2-carboxamide

N-(oxolan-2-ylmethylcarbamothioyl)thiophene-2-carboxamide (PubChem CID 2907688) has the molecular formula C11H14N2O2S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(oxolan-2-ylmethylcarbamothioyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethylcarbamothioyl)thiophene-2-carboxamide
PubChem CID2907688
Molecular FormulaC11H14N2O2S2
Molecular Weight270.38 g/mol
Exact Mass270.05
IUPAC NameN-(oxolan-2-ylmethylcarbamothioyl)thiophene-2-carboxamide
SMILESO=C(NC(=S)NCC1CCCO1)c1cccs1
InChIInChI=1S/C11H14N2O2S2/c14-10(9-4-2-6-17-9)13-11(16)12-7-8-3-1-5-15-8/h2,4,6,8H,1,3,5,7H2,(H2,12,13,14,16)
InChIKeyJRQIQTUYXFSTQO-UHFFFAOYSA-N
XLogP1.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Thiophene-2-carboxamide, N-tetrahydrofurfuryl-
CID 531922
1-[(5-Methylthiophene-3-carbonyl)amino]-3-(oxolan-2-ylmethyl)thiourea
CID 4607795
N-(tetrahydro-2-furanylmethyl)-N'-(2-thienylmethyl)thiourea
CID 2956318
N-[1-(tetrahydro-2-furanyl)ethyl]-2-thiophenecarboxamide
CID 6466209
N-{[(2-oxotetrahydro-3-thienyl)amino]carbonothioyl}-2-thiophenecarboxamide
CID 2908370
N-(2-sulfanylideneimidazolidine-1-carbothioyl)thiophene-2-carboxamide
CID 9965300
N-(thiophen-2-ylmethylcarbamothioyl)thiophene-2-carboxamide
CID 872667
N-{[(2S)-oxolan-2-yl]methyl}-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 167530290
(2E)-N-[(tetrahydrofuran-2-ylmethyl)carbamothioyl]-3-(thiophen-2-yl)prop-2-enamide
CID 5815255
3-methyl-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 30478983
N-(4-morpholinylcarbothioyl)-2-thiophenecarboxamide
CID 819084
N-(2-morpholin-4-ylethylcarbamothioyl)thiophene-2-carboxamide
CID 1330588

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethylcarbamothioyl)thiophene-2-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethylcarbamothioyl)thiophene-2-carboxamide (CID 2907688) is N-(oxolan-2-ylmethylcarbamothioyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethylcarbamothioyl)thiophene-2-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethylcarbamothioyl)thiophene-2-carboxamide is O=C(NC(=S)NCC1CCCO1)c1cccs1.
What is the InChIKey of N-(oxolan-2-ylmethylcarbamothioyl)thiophene-2-carboxamide?
The InChIKey is JRQIQTUYXFSTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S2/c14-10(9-4-2-6-17-9)13-11(16)12-7-8-3-1-5-15-8/h2,4,6,8H,1,3,5,7H2,(H2,12,13,14,16).
What are the key properties of N-(oxolan-2-ylmethylcarbamothioyl)thiophene-2-carboxamide?
N-(oxolan-2-ylmethylcarbamothioyl)thiophene-2-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethylcarbamothioyl)thiophene-2-carboxamide is sourced from PubChem (CID 2907688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).