N-tert-butyl-4-(2-hydroxyethyl)piperidine-1-carbothioamide

C12H24N2OS — CID 71501539

IUPACN-tert-butyl-4-(2-hydroxyethyl)piperidine-1-carbothioamide
SMILESCC(C)(C)NC(=S)N1CCC(CCO)CC1
InChIInChI=1S/C12H24N2OS/c1-12(2,3)13-11(16)14-7-4-10(5-8-14)6-9-15/h10,15H,4-9H2,1-3H3,(H,13,16)
InChIKeyWOJWNQYKVHOZIU-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.75
Rot. Bonds2

About N-tert-butyl-4-(2-hydroxyethyl)piperidine-1-carbothioamide

N-tert-butyl-4-(2-hydroxyethyl)piperidine-1-carbothioamide (PubChem CID 71501539) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N-tert-butyl-4-(2-hydroxyethyl)piperidine-1-carbothioamide.

Molecular Properties

Compound NameN-tert-butyl-4-(2-hydroxyethyl)piperidine-1-carbothioamide
PubChem CID71501539
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN-tert-butyl-4-(2-hydroxyethyl)piperidine-1-carbothioamide
SMILESCC(C)(C)NC(=S)N1CCC(CCO)CC1
InChIInChI=1S/C12H24N2OS/c1-12(2,3)13-11(16)14-7-4-10(5-8-14)6-9-15/h10,15H,4-9H2,1-3H3,(H,13,16)
InChIKeyWOJWNQYKVHOZIU-UHFFFAOYSA-N
XLogP1.75
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.75
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-cyclopentyl-3-(hydroxymethyl)piperidine-1-carbothioamide
CID 2945357
N-ethyl-4-(2-hydroxyethyl)piperidine-1-carbothioamide
CID 57850772
4-(2-hydroxyethyl)-N-methylpiperidine-1-carbothioamide
CID 59581122
CID 87305000
CID 87305000
(3R)-N-cyclopentyl-3-(hydroxymethyl)piperidine-1-carbothioamide
CID 899605
(3S)-N-cyclopentyl-3-(hydroxymethyl)piperidine-1-carbothioamide
CID 899606
(3R)-N-cyclopropyl-3-(hydroxymethyl)piperidine-1-carbothioamide
CID 1853515
(3S)-N-cyclopropyl-3-(hydroxymethyl)piperidine-1-carbothioamide
CID 1853516
N-cyclopropyl-3-(hydroxymethyl)piperidine-1-carbothioamide
CID 4888703
N-butyl-3-(hydroxymethyl)piperidine-1-carbothioamide
CID 75849502
N-cyclohexyl-3-(hydroxymethyl)piperidine-1-carbothioamide
CID 75849503
3-(hydroxymethyl)-N-propan-2-ylpiperidine-1-carbothioamide
CID 75849504

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2-hydroxyethyl)piperidine-1-carbothioamide?
The IUPAC name of N-tert-butyl-4-(2-hydroxyethyl)piperidine-1-carbothioamide (CID 71501539) is N-tert-butyl-4-(2-hydroxyethyl)piperidine-1-carbothioamide.
What is the SMILES notation for N-tert-butyl-4-(2-hydroxyethyl)piperidine-1-carbothioamide?
The canonical SMILES for N-tert-butyl-4-(2-hydroxyethyl)piperidine-1-carbothioamide is CC(C)(C)NC(=S)N1CCC(CCO)CC1.
What is the InChIKey of N-tert-butyl-4-(2-hydroxyethyl)piperidine-1-carbothioamide?
The InChIKey is WOJWNQYKVHOZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-12(2,3)13-11(16)14-7-4-10(5-8-14)6-9-15/h10,15H,4-9H2,1-3H3,(H,13,16).
What are the key properties of N-tert-butyl-4-(2-hydroxyethyl)piperidine-1-carbothioamide?
N-tert-butyl-4-(2-hydroxyethyl)piperidine-1-carbothioamide has a molecular weight of 244.40 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2-hydroxyethyl)piperidine-1-carbothioamide is sourced from PubChem (CID 71501539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).