N-[2-(hydroxymethyl)piperidine-1-carbothioyl]thiophene-2-carboxamide

C12H16N2O2S2 — CID 3261037

IUPACN-[2-(hydroxymethyl)piperidine-1-carbothioyl]thiophene-2-carboxamide
SMILESO=C(NC(=S)N1CCCCC1CO)c1cccs1
InChIInChI=1S/C12H16N2O2S2/c15-8-9-4-1-2-6-14(9)12(17)13-11(16)10-5-3-7-18-10/h3,5,7,9,15H,1-2,4,6,8H2,(H,13,16,17)
InChIKeyUSIBANOZJLGYGO-UHFFFAOYSA-N
MW284.41 g/mol
LogP1.61
Rot. Bonds2

About N-[2-(hydroxymethyl)piperidine-1-carbothioyl]thiophene-2-carboxamide

N-[2-(hydroxymethyl)piperidine-1-carbothioyl]thiophene-2-carboxamide (PubChem CID 3261037) has the molecular formula C12H16N2O2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)piperidine-1-carbothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)piperidine-1-carbothioyl]thiophene-2-carboxamide
PubChem CID3261037
Molecular FormulaC12H16N2O2S2
Molecular Weight284.41 g/mol
Exact Mass284.07
IUPAC NameN-[2-(hydroxymethyl)piperidine-1-carbothioyl]thiophene-2-carboxamide
SMILESO=C(NC(=S)N1CCCCC1CO)c1cccs1
InChIInChI=1S/C12H16N2O2S2/c15-8-9-4-1-2-6-14(9)12(17)13-11(16)10-5-3-7-18-10/h3,5,7,9,15H,1-2,4,6,8H2,(H,13,16,17)
InChIKeyUSIBANOZJLGYGO-UHFFFAOYSA-N
XLogP1.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)piperidine-1-carbothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)piperidine-1-carbothioyl]thiophene-2-carboxamide (CID 3261037) is N-[2-(hydroxymethyl)piperidine-1-carbothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)piperidine-1-carbothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)piperidine-1-carbothioyl]thiophene-2-carboxamide is O=C(NC(=S)N1CCCCC1CO)c1cccs1.
What is the InChIKey of N-[2-(hydroxymethyl)piperidine-1-carbothioyl]thiophene-2-carboxamide?
The InChIKey is USIBANOZJLGYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S2/c15-8-9-4-1-2-6-14(9)12(17)13-11(16)10-5-3-7-18-10/h3,5,7,9,15H,1-2,4,6,8H2,(H,13,16,17).
What are the key properties of N-[2-(hydroxymethyl)piperidine-1-carbothioyl]thiophene-2-carboxamide?
N-[2-(hydroxymethyl)piperidine-1-carbothioyl]thiophene-2-carboxamide has a molecular weight of 284.41 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)piperidine-1-carbothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 3261037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).