N-cyclopropyl-3-(hydroxymethyl)piperidine-1-carbothioamide

C10H18N2OS — CID 4888703

IUPACN-cyclopropyl-3-(hydroxymethyl)piperidine-1-carbothioamide
SMILESOCC1CCCN(C(=S)NC2CC2)C1
InChIInChI=1S/C10H18N2OS/c13-7-8-2-1-5-12(6-8)10(14)11-9-3-4-9/h8-9,13H,1-7H2,(H,11,14)
InChIKeyYJHFXUKBEIUJNA-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.73
Rot. Bonds2

About N-cyclopropyl-3-(hydroxymethyl)piperidine-1-carbothioamide

N-cyclopropyl-3-(hydroxymethyl)piperidine-1-carbothioamide (PubChem CID 4888703) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N-cyclopropyl-3-(hydroxymethyl)piperidine-1-carbothioamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(hydroxymethyl)piperidine-1-carbothioamide
PubChem CID4888703
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN-cyclopropyl-3-(hydroxymethyl)piperidine-1-carbothioamide
SMILESOCC1CCCN(C(=S)NC2CC2)C1
InChIInChI=1S/C10H18N2OS/c13-7-8-2-1-5-12(6-8)10(14)11-9-3-4-9/h8-9,13H,1-7H2,(H,11,14)
InChIKeyYJHFXUKBEIUJNA-UHFFFAOYSA-N
XLogP0.73
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.73
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

(3R)-N-cyclooctyl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95577956
3-(hydroxymethyl)-N-(4-methylcyclohexyl)piperidine-1-carboxamide
CID 110894815
N-cyclopropylazocane-1-carbothioamide
CID 115570256
(3R)-N-cyclopentyl-3-methylpiperidine-1-carbothioamide
CID 947302
(3S)-N-cyclohexyl-3-hydroxypiperidine-1-carbothioamide
CID 8669560
bis[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 151645360
N-cyclohexyl-3-propylpyrrolidine-1-carbothioamide
CID 116510071
(3S)-N-(3-chloro-4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide
CID 8619026
methyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 121340788
N-cyclopropyl-3-methoxypyrrolidine-1-carbothioamide
CID 103532015
3-ethyl-N-methylpiperidine-1-carbothioamide
CID 115580649
methyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 20598102

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(hydroxymethyl)piperidine-1-carbothioamide?
The IUPAC name of N-cyclopropyl-3-(hydroxymethyl)piperidine-1-carbothioamide (CID 4888703) is N-cyclopropyl-3-(hydroxymethyl)piperidine-1-carbothioamide.
What is the SMILES notation for N-cyclopropyl-3-(hydroxymethyl)piperidine-1-carbothioamide?
The canonical SMILES for N-cyclopropyl-3-(hydroxymethyl)piperidine-1-carbothioamide is OCC1CCCN(C(=S)NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-3-(hydroxymethyl)piperidine-1-carbothioamide?
The InChIKey is YJHFXUKBEIUJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c13-7-8-2-1-5-12(6-8)10(14)11-9-3-4-9/h8-9,13H,1-7H2,(H,11,14).
What are the key properties of N-cyclopropyl-3-(hydroxymethyl)piperidine-1-carbothioamide?
N-cyclopropyl-3-(hydroxymethyl)piperidine-1-carbothioamide has a molecular weight of 214.33 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(hydroxymethyl)piperidine-1-carbothioamide is sourced from PubChem (CID 4888703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).