3-(2-hydroxyethyl)-N-(2-methylpropyl)piperidine-1-carbothioamide

C12H24N2OS — CID 107227325

IUPAC3-(2-hydroxyethyl)-N-(2-methylpropyl)piperidine-1-carbothioamide
SMILESCC(C)CNC(=S)N1CCCC(CCO)C1
InChIInChI=1S/C12H24N2OS/c1-10(2)8-13-12(16)14-6-3-4-11(9-14)5-7-15/h10-11,15H,3-9H2,1-2H3,(H,13,16)
InChIKeyDROWXRWPEUYBQH-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.61
Rot. Bonds4

About 3-(2-hydroxyethyl)-N-(2-methylpropyl)piperidine-1-carbothioamide

3-(2-hydroxyethyl)-N-(2-methylpropyl)piperidine-1-carbothioamide (PubChem CID 107227325) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-N-(2-methylpropyl)piperidine-1-carbothioamide.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-N-(2-methylpropyl)piperidine-1-carbothioamide
PubChem CID107227325
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name3-(2-hydroxyethyl)-N-(2-methylpropyl)piperidine-1-carbothioamide
SMILESCC(C)CNC(=S)N1CCCC(CCO)C1
InChIInChI=1S/C12H24N2OS/c1-10(2)8-13-12(16)14-6-3-4-11(9-14)5-7-15/h10-11,15H,3-9H2,1-2H3,(H,13,16)
InChIKeyDROWXRWPEUYBQH-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-(2-hydroxyethyl)piperidine-1-carbothioamide
CID 107227314
propan-2-yl 3-(2-hydroxyethyl)piperidine-1-carboxylate
CID 62356607
3,4-dimethyl-N-(2-methylpropyl)piperazine-1-carbothioamide
CID 116508593
3-(dimethylamino)-N-(2-methylpropyl)pyrrolidine-1-carbothioamide
CID 115609923
3-(2-hydroxyethyl)-N'-propan-2-ylpiperidine-1-carboximidamide
CID 107229049
methyl 2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetate
CID 107228466
3,4-dimethyl-N-(2-methylpropyl)pyrrolidine-1-carbothioamide
CID 115662509
4-[3-(2-hydroxyethyl)piperidin-1-yl]-2,3-dimethyl-4-oxobutanoic acid
CID 107214215
(3R)-3-(2-hydroxyethyl)piperidine-1-carboxylic acid
CID 69075758
2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]pentanoic acid
CID 107228296
N-(2-methylpropyl)-4-piperidin-1-ylpiperidine-1-carbothioamide
CID 115583674
4-tert-butyl-N-(2-methylpropyl)piperidine-1-carbothioamide
CID 113236850

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-N-(2-methylpropyl)piperidine-1-carbothioamide?
The IUPAC name of 3-(2-hydroxyethyl)-N-(2-methylpropyl)piperidine-1-carbothioamide (CID 107227325) is 3-(2-hydroxyethyl)-N-(2-methylpropyl)piperidine-1-carbothioamide.
What is the SMILES notation for 3-(2-hydroxyethyl)-N-(2-methylpropyl)piperidine-1-carbothioamide?
The canonical SMILES for 3-(2-hydroxyethyl)-N-(2-methylpropyl)piperidine-1-carbothioamide is CC(C)CNC(=S)N1CCCC(CCO)C1.
What is the InChIKey of 3-(2-hydroxyethyl)-N-(2-methylpropyl)piperidine-1-carbothioamide?
The InChIKey is DROWXRWPEUYBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-10(2)8-13-12(16)14-6-3-4-11(9-14)5-7-15/h10-11,15H,3-9H2,1-2H3,(H,13,16).
What are the key properties of 3-(2-hydroxyethyl)-N-(2-methylpropyl)piperidine-1-carbothioamide?
3-(2-hydroxyethyl)-N-(2-methylpropyl)piperidine-1-carbothioamide has a molecular weight of 244.40 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-N-(2-methylpropyl)piperidine-1-carbothioamide is sourced from PubChem (CID 107227325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).