N-(trimethylsilylmethyl)piperidine-1-carbothioamide

C10H22N2SSi — CID 15305441

IUPACN-(trimethylsilylmethyl)piperidine-1-carbothioamide
SMILESC[Si](C)(C)CNC(=S)N1CCCCC1
InChIInChI=1S/C10H22N2SSi/c1-14(2,3)9-11-10(13)12-7-5-4-6-8-12/h4-9H2,1-3H3,(H,11,13)
InChIKeyHTTDCINJQIJIJI-UHFFFAOYSA-N
MW230.45 g/mol
LogP2.22
Rot. Bonds2

About N-(trimethylsilylmethyl)piperidine-1-carbothioamide

N-(trimethylsilylmethyl)piperidine-1-carbothioamide (PubChem CID 15305441) has the molecular formula C10H22N2SSi and a molecular weight of 230.45 g/mol. Its IUPAC name is N-(trimethylsilylmethyl)piperidine-1-carbothioamide.

Molecular Properties

Compound NameN-(trimethylsilylmethyl)piperidine-1-carbothioamide
PubChem CID15305441
Molecular FormulaC10H22N2SSi
Molecular Weight230.45 g/mol
Exact Mass230.13
IUPAC NameN-(trimethylsilylmethyl)piperidine-1-carbothioamide
SMILESC[Si](C)(C)CNC(=S)N1CCCCC1
InChIInChI=1S/C10H22N2SSi/c1-14(2,3)9-11-10(13)12-7-5-4-6-8-12/h4-9H2,1-3H3,(H,11,13)
InChIKeyHTTDCINJQIJIJI-UHFFFAOYSA-N
XLogP2.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(trimethylsilylmethyl)morpholine-4-carbothioamide
CID 15305442
N-propylazepane-1-carbothioamide
CID 19654131
N-(3-methylsulfanylpropyl)azepane-1-carbothioamide
CID 43384650
N-pentylpyrrolidine-1-carbothioamide
CID 127515670
N-(5-oxohexyl)piperidine-1-carbothioamide
CID 88559676
N-butylazetidine-1-carbothioamide
CID 115576699
N-tert-butylpyrrolidine-1-carbothioamide
CID 86155364
N-(3-morpholin-4-ylpropyl)azepane-1-carbothioamide
CID 43384645
N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-1-carbothioamide
CID 43414187
N-cyclopropylazocane-1-carbothioamide
CID 115570256
N-(azepane-1-carbothioyl)-3-methylbutanamide
CID 2949854
N-(3-morpholin-4-ium-4-ylpropyl)piperidine-1-carbothioamide
CID 7036892

Frequently Asked Questions

What is the IUPAC name of N-(trimethylsilylmethyl)piperidine-1-carbothioamide?
The IUPAC name of N-(trimethylsilylmethyl)piperidine-1-carbothioamide (CID 15305441) is N-(trimethylsilylmethyl)piperidine-1-carbothioamide.
What is the SMILES notation for N-(trimethylsilylmethyl)piperidine-1-carbothioamide?
The canonical SMILES for N-(trimethylsilylmethyl)piperidine-1-carbothioamide is C[Si](C)(C)CNC(=S)N1CCCCC1.
What is the InChIKey of N-(trimethylsilylmethyl)piperidine-1-carbothioamide?
The InChIKey is HTTDCINJQIJIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2SSi/c1-14(2,3)9-11-10(13)12-7-5-4-6-8-12/h4-9H2,1-3H3,(H,11,13).
What are the key properties of N-(trimethylsilylmethyl)piperidine-1-carbothioamide?
N-(trimethylsilylmethyl)piperidine-1-carbothioamide has a molecular weight of 230.45 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trimethylsilylmethyl)piperidine-1-carbothioamide is sourced from PubChem (CID 15305441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).