S-methyl N-cyclohexylcarbamothioate

C8H15NOS — CID 3710575

IUPACS-methyl N-cyclohexylcarbamothioate
SMILESCSC(=O)NC1CCCCC1
InChIInChI=1S/C8H15NOS/c1-11-8(10)9-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,9,10)
InChIKeyUYMBBIQNLCLCII-UHFFFAOYSA-N
MW173.28 g/mol
LogP2.39
Rot. Bonds1

About S-methyl N-cyclohexylcarbamothioate

S-methyl N-cyclohexylcarbamothioate (PubChem CID 3710575) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is S-methyl N-cyclohexylcarbamothioate.

Molecular Properties

Compound NameS-methyl N-cyclohexylcarbamothioate
PubChem CID3710575
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC NameS-methyl N-cyclohexylcarbamothioate
SMILESCSC(=O)NC1CCCCC1
InChIInChI=1S/C8H15NOS/c1-11-8(10)9-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,9,10)
InChIKeyUYMBBIQNLCLCII-UHFFFAOYSA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N'-(cyclohexylcarbamoyl)carbamimidothioate
CID 13381776
N-cyclohexyl-2-silylpropanamide
CID 123581134
1-cyclobutyl-3-cyclohexylurea
CID 17217147
methyl N-cyclohexadecylcarbamate
CID 131977131
N-cyclohexyl-2-oxopropanamide
CID 12861109
cyclohexylurea;methanamine
CID 142108304
N-cyclohexyl-1-methylcyclopropane-1-carboxamide
CID 130162659
N-cyclopentyl-2-methylsulfanylpropanamide
CID 126996006
N-cyclohexyl-4-methylsulfanylbenzamide
CID 60645846
S-[2-[2-[2-(cyclohexylcarbamoylsulfanyl)ethoxy]ethoxy]ethyl] N-cyclohexylcarbamothioate
CID 132564012
S-methyl N-[(1R,2S)-2-methoxycyclohexyl]carbamothioate
CID 41097231
cyclohexylcarbamic acid;hydrate
CID 172719994

Frequently Asked Questions

What is the IUPAC name of S-methyl N-cyclohexylcarbamothioate?
The IUPAC name of S-methyl N-cyclohexylcarbamothioate (CID 3710575) is S-methyl N-cyclohexylcarbamothioate.
What is the SMILES notation for S-methyl N-cyclohexylcarbamothioate?
The canonical SMILES for S-methyl N-cyclohexylcarbamothioate is CSC(=O)NC1CCCCC1.
What is the InChIKey of S-methyl N-cyclohexylcarbamothioate?
The InChIKey is UYMBBIQNLCLCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-11-8(10)9-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,9,10).
What are the key properties of S-methyl N-cyclohexylcarbamothioate?
S-methyl N-cyclohexylcarbamothioate has a molecular weight of 173.28 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-methyl N-cyclohexylcarbamothioate is sourced from PubChem (CID 3710575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).