N-(trimethylsilylmethyl)morpholine-4-carbothioamide

C9H20N2OSSi — CID 15305442

IUPACN-(trimethylsilylmethyl)morpholine-4-carbothioamide
SMILESC[Si](C)(C)CNC(=S)N1CCOCC1
InChIInChI=1S/C9H20N2OSSi/c1-14(2,3)8-10-9(13)11-4-6-12-7-5-11/h4-8H2,1-3H3,(H,10,13)
InChIKeyPVZPHQMQVFPBHL-UHFFFAOYSA-N
MW232.42 g/mol
LogP1.07
Rot. Bonds2

About N-(trimethylsilylmethyl)morpholine-4-carbothioamide

N-(trimethylsilylmethyl)morpholine-4-carbothioamide (PubChem CID 15305442) has the molecular formula C9H20N2OSSi and a molecular weight of 232.42 g/mol. Its IUPAC name is N-(trimethylsilylmethyl)morpholine-4-carbothioamide.

Molecular Properties

Compound NameN-(trimethylsilylmethyl)morpholine-4-carbothioamide
PubChem CID15305442
Molecular FormulaC9H20N2OSSi
Molecular Weight232.42 g/mol
Exact Mass232.11
IUPAC NameN-(trimethylsilylmethyl)morpholine-4-carbothioamide
SMILESC[Si](C)(C)CNC(=S)N1CCOCC1
InChIInChI=1S/C9H20N2OSSi/c1-14(2,3)8-10-9(13)11-4-6-12-7-5-11/h4-8H2,1-3H3,(H,10,13)
InChIKeyPVZPHQMQVFPBHL-UHFFFAOYSA-N
XLogP1.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.42
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-ethenoxyethyl)morpholine-4-carbothioamide
CID 3029346
N-(3-ethoxypropyl)-1,4-oxazepane-4-carbothioamide
CID 115597442
(E)-N-(morpholine-4-carbothioyl)but-2-enamide
CID 13494821
2,2-diethyl-N,N'-bis(morpholine-4-carbothioyl)propanediamide
CID 27236176
N-(3-morpholin-4-ylpropyl)azepane-1-carbothioamide
CID 43384645
ethane;1-morpholin-4-ylethanethione
CID 142226083
4-morpholin-4-yl-4-sulfanylidenebutan-2-one
CID 126484570
N-(cyclohexylideneamino)morpholine-4-carbothioamide
CID 15814516
CID 177489628
CID 177489628
1,4,7,10,13-pentaoxa-16-azacyclooctadecane-16-carbodithioic acid
CID 11187568
methyl morpholine-4-carbodithioate
CID 5043631
tert-butyl N-(morpholine-4-carbothioyl)carbamate
CID 24894287

Frequently Asked Questions

What is the IUPAC name of N-(trimethylsilylmethyl)morpholine-4-carbothioamide?
The IUPAC name of N-(trimethylsilylmethyl)morpholine-4-carbothioamide (CID 15305442) is N-(trimethylsilylmethyl)morpholine-4-carbothioamide.
What is the SMILES notation for N-(trimethylsilylmethyl)morpholine-4-carbothioamide?
The canonical SMILES for N-(trimethylsilylmethyl)morpholine-4-carbothioamide is C[Si](C)(C)CNC(=S)N1CCOCC1.
What is the InChIKey of N-(trimethylsilylmethyl)morpholine-4-carbothioamide?
The InChIKey is PVZPHQMQVFPBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OSSi/c1-14(2,3)8-10-9(13)11-4-6-12-7-5-11/h4-8H2,1-3H3,(H,10,13).
What are the key properties of N-(trimethylsilylmethyl)morpholine-4-carbothioamide?
N-(trimethylsilylmethyl)morpholine-4-carbothioamide has a molecular weight of 232.42 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trimethylsilylmethyl)morpholine-4-carbothioamide is sourced from PubChem (CID 15305442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).