1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbothioamide

C14H24N2O2S — CID 80592402

IUPAC1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbothioamide
SMILESCC1CC(C(=O)N2CCCCC2CCO)(C(N)=S)C1
InChIInChI=1S/C14H24N2O2S/c1-10-8-14(9-10,12(15)19)13(18)16-6-3-2-4-11(16)5-7-17/h10-11,17H,2-9H2,1H3,(H2,15,19)
InChIKeyJNNJBVSJFCHOTK-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.45
Rot. Bonds4

About 1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbothioamide

1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbothioamide (PubChem CID 80592402) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbothioamide.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbothioamide
PubChem CID80592402
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbothioamide
SMILESCC1CC(C(=O)N2CCCCC2CCO)(C(N)=S)C1
InChIInChI=1S/C14H24N2O2S/c1-10-8-14(9-10,12(15)19)13(18)16-6-3-2-4-11(16)5-7-17/h10-11,17H,2-9H2,1H3,(H2,15,19)
InChIKeyJNNJBVSJFCHOTK-UHFFFAOYSA-N
XLogP1.45
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-carbamothioyl-3-methylcyclobutanecarbonyl)piperidine-2-carboxamide
CID 80588871
(1-amino-3-methylcyclohexyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 64548999
[2-(2-hydroxyethyl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66477689
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-3-methylcyclobutane-1-carbothioamide
CID 115559916
1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile
CID 80598710
2-(2-hydroxyethyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 60956630
2-(1-aminocyclopentyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 64684748
(2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 61149140
N'-hydroxy-1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 83046091
[1-(4-aminophenyl)cyclopropyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 115913231
1-carbamothioyl-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutane-1-carboxamide
CID 106023710
[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(2-ethylpiperidin-1-yl)methanone
CID 108980012

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbothioamide?
The IUPAC name of 1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbothioamide (CID 80592402) is 1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbothioamide.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbothioamide?
The canonical SMILES for 1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbothioamide is CC1CC(C(=O)N2CCCCC2CCO)(C(N)=S)C1.
What is the InChIKey of 1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbothioamide?
The InChIKey is JNNJBVSJFCHOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-10-8-14(9-10,12(15)19)13(18)16-6-3-2-4-11(16)5-7-17/h10-11,17H,2-9H2,1H3,(H2,15,19).
What are the key properties of 1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbothioamide?
1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbothioamide has a molecular weight of 284.43 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbothioamide is sourced from PubChem (CID 80592402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).