1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbothioamide

C13H22N2O2S — CID 106835942

IUPAC1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbothioamide
SMILESCC(O)C1CCN(C(=O)C2(C(N)=S)CCC2)CC1
InChIInChI=1S/C13H22N2O2S/c1-9(16)10-3-7-15(8-4-10)12(17)13(11(14)18)5-2-6-13/h9-10,16H,2-8H2,1H3,(H2,14,18)
InChIKeyZXYVJHBRSFZDTD-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.06
Rot. Bonds3

About 1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbothioamide

1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbothioamide (PubChem CID 106835942) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbothioamide.

Molecular Properties

Compound Name1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbothioamide
PubChem CID106835942
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbothioamide
SMILESCC(O)C1CCN(C(=O)C2(C(N)=S)CCC2)CC1
InChIInChI=1S/C13H22N2O2S/c1-9(16)10-3-7-15(8-4-10)12(17)13(11(14)18)5-2-6-13/h9-10,16H,2-8H2,1H3,(H2,14,18)
InChIKeyZXYVJHBRSFZDTD-UHFFFAOYSA-N
XLogP1.06
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.06
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-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 106837028
1-(4-propylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide
CID 62205619
1-(4-ethylazepane-1-carbonyl)cyclobutane-1-carbothioamide
CID 80590481
1-(azetidine-1-carbonyl)cyclopentane-1-carbothioamide
CID 126980533
N'-hydroxy-1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboximidamide
CID 103942925
1-(3,4,5-trimethylpiperazine-1-carbonyl)cyclobutane-1-carbothioamide
CID 114536931
1-(4-cyclopropylpiperazine-1-carbonyl)cyclobutane-1-carbothioamide
CID 80589211
1-[3-(dimethylamino)pyrrolidine-1-carbonyl]cyclobutane-1-carbothioamide
CID 80591206
1-[4-(2-methylpropyl)piperazine-1-carbonyl]cyclobutane-1-carbothioamide
CID 80589264
1-(1-carbamothioylcyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 80590062
1-[3-(diethylamino)pyrrolidine-1-carbonyl]cyclohexane-1-carbothioamide
CID 63514275
3-[4-(1-hydroxyethyl)piperidin-1-yl]-2,2-dimethyl-3-oxopropanethioamide
CID 106835948

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbothioamide?
The IUPAC name of 1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbothioamide (CID 106835942) is 1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbothioamide.
What is the SMILES notation for 1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbothioamide?
The canonical SMILES for 1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbothioamide is CC(O)C1CCN(C(=O)C2(C(N)=S)CCC2)CC1.
What is the InChIKey of 1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbothioamide?
The InChIKey is ZXYVJHBRSFZDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-9(16)10-3-7-15(8-4-10)12(17)13(11(14)18)5-2-6-13/h9-10,16H,2-8H2,1H3,(H2,14,18).
What are the key properties of 1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbothioamide?
1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbothioamide has a molecular weight of 270.40 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbothioamide is sourced from PubChem (CID 106835942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).