N-(4-carbamothioyl-1-methylpiperidin-4-yl)oxolane-2-carboxamide

C12H21N3O2S — CID 61122166

IUPACN-(4-carbamothioyl-1-methylpiperidin-4-yl)oxolane-2-carboxamide
SMILESCN1CCC(NC(=O)C2CCCO2)(C(N)=S)CC1
InChIInChI=1S/C12H21N3O2S/c1-15-6-4-12(5-7-15,11(13)18)14-10(16)9-3-2-8-17-9/h9H,2-8H2,1H3,(H2,13,18)(H,14,16)
InChIKeyFOUQCOWHJAVGLQ-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.03
Rot. Bonds3

About N-(4-carbamothioyl-1-methylpiperidin-4-yl)oxolane-2-carboxamide

N-(4-carbamothioyl-1-methylpiperidin-4-yl)oxolane-2-carboxamide (PubChem CID 61122166) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(4-carbamothioyl-1-methylpiperidin-4-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1-methylpiperidin-4-yl)oxolane-2-carboxamide
PubChem CID61122166
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-(4-carbamothioyl-1-methylpiperidin-4-yl)oxolane-2-carboxamide
SMILESCN1CCC(NC(=O)C2CCCO2)(C(N)=S)CC1
InChIInChI=1S/C12H21N3O2S/c1-15-6-4-12(5-7-15,11(13)18)14-10(16)9-3-2-8-17-9/h9H,2-8H2,1H3,(H2,13,18)(H,14,16)
InChIKeyFOUQCOWHJAVGLQ-UHFFFAOYSA-N
XLogP0.03
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.03
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-(4-carbamothioyl-1-methylpiperidin-4-yl)oxolane-2-carboxamide?
The IUPAC name of N-(4-carbamothioyl-1-methylpiperidin-4-yl)oxolane-2-carboxamide (CID 61122166) is N-(4-carbamothioyl-1-methylpiperidin-4-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(4-carbamothioyl-1-methylpiperidin-4-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(4-carbamothioyl-1-methylpiperidin-4-yl)oxolane-2-carboxamide is CN1CCC(NC(=O)C2CCCO2)(C(N)=S)CC1.
What is the InChIKey of N-(4-carbamothioyl-1-methylpiperidin-4-yl)oxolane-2-carboxamide?
The InChIKey is FOUQCOWHJAVGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-15-6-4-12(5-7-15,11(13)18)14-10(16)9-3-2-8-17-9/h9H,2-8H2,1H3,(H2,13,18)(H,14,16).
What are the key properties of N-(4-carbamothioyl-1-methylpiperidin-4-yl)oxolane-2-carboxamide?
N-(4-carbamothioyl-1-methylpiperidin-4-yl)oxolane-2-carboxamide has a molecular weight of 271.39 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-1-methylpiperidin-4-yl)oxolane-2-carboxamide is sourced from PubChem (CID 61122166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).