N-(4-carbamothioyl-1-methylpiperidin-4-yl)oxolane-3-carboxamide

C12H21N3O2S — CID 61276669

IUPACN-(4-carbamothioyl-1-methylpiperidin-4-yl)oxolane-3-carboxamide
SMILESCN1CCC(NC(=O)C2CCOC2)(C(N)=S)CC1
InChIInChI=1S/C12H21N3O2S/c1-15-5-3-12(4-6-15,11(13)18)14-10(16)9-2-7-17-8-9/h9H,2-8H2,1H3,(H2,13,18)(H,14,16)
InChIKeyZLCRIHOYSGHAQZ-UHFFFAOYSA-N
MW271.39 g/mol
LogP-0.11
Rot. Bonds3

About N-(4-carbamothioyl-1-methylpiperidin-4-yl)oxolane-3-carboxamide

N-(4-carbamothioyl-1-methylpiperidin-4-yl)oxolane-3-carboxamide (PubChem CID 61276669) 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-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1-methylpiperidin-4-yl)oxolane-3-carboxamide
PubChem CID61276669
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-(4-carbamothioyl-1-methylpiperidin-4-yl)oxolane-3-carboxamide
SMILESCN1CCC(NC(=O)C2CCOC2)(C(N)=S)CC1
InChIInChI=1S/C12H21N3O2S/c1-15-5-3-12(4-6-15,11(13)18)14-10(16)9-2-7-17-8-9/h9H,2-8H2,1H3,(H2,13,18)(H,14,16)
InChIKeyZLCRIHOYSGHAQZ-UHFFFAOYSA-N
XLogP-0.11
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 ≤ 5-0.11
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

N-(4-carbamothioyl-1-methylpiperidin-4-yl)azepane-1-carboxamide
CID 79152894
N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]oxane-3-carboxamide
CID 76982149
N-(2-amino-2-sulfanylideneethyl)oxolane-3-carboxamide
CID 61276568
(3R)-N-[1-(ethylcarbamoyl)cyclopentyl]oxane-3-carboxamide
CID 124737897
N-(4-carbamothioyl-1-methylpiperidin-4-yl)heptanamide
CID 114752760
5-bromo-N-(4-carbamothioyl-1-methylpiperidin-4-yl)furan-2-carboxamide
CID 61122940
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-6-methylpyridine-3-carboxamide
CID 61122944
N-(4-amino-4-sulfanylidenebutan-2-yl)oxolane-3-carboxamide
CID 62093159
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2,3-dichlorobenzamide
CID 61123543
1-(oxane-4-carbonylamino)cyclopropane-1-carboxylic acid
CID 65452828
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-5-ethylfuran-2-carboxamide
CID 79095992
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-chloro-4-methylbenzamide
CID 106861279

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-1-methylpiperidin-4-yl)oxolane-3-carboxamide?
The IUPAC name of N-(4-carbamothioyl-1-methylpiperidin-4-yl)oxolane-3-carboxamide (CID 61276669) is N-(4-carbamothioyl-1-methylpiperidin-4-yl)oxolane-3-carboxamide.
What is the SMILES notation for N-(4-carbamothioyl-1-methylpiperidin-4-yl)oxolane-3-carboxamide?
The canonical SMILES for N-(4-carbamothioyl-1-methylpiperidin-4-yl)oxolane-3-carboxamide is CN1CCC(NC(=O)C2CCOC2)(C(N)=S)CC1.
What is the InChIKey of N-(4-carbamothioyl-1-methylpiperidin-4-yl)oxolane-3-carboxamide?
The InChIKey is ZLCRIHOYSGHAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-15-5-3-12(4-6-15,11(13)18)14-10(16)9-2-7-17-8-9/h9H,2-8H2,1H3,(H2,13,18)(H,14,16).
What are the key properties of N-(4-carbamothioyl-1-methylpiperidin-4-yl)oxolane-3-carboxamide?
N-(4-carbamothioyl-1-methylpiperidin-4-yl)oxolane-3-carboxamide has a molecular weight of 271.39 g/mol, XLogP of -0.11, 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-3-carboxamide is sourced from PubChem (CID 61276669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).