S-ethyl N-methyl-N-(2-methylcyclohexyl)carbamothioate

C11H21NOS — CID 21318327

IUPACS-ethyl N-methyl-N-(2-methylcyclohexyl)carbamothioate
SMILESCCSC(=O)N(C)C1CCCCC1C
InChIInChI=1S/C11H21NOS/c1-4-14-11(13)12(3)10-8-6-5-7-9(10)2/h9-10H,4-8H2,1-3H3
InChIKeyVMYTVQZKENEAJJ-UHFFFAOYSA-N
MW215.36 g/mol
LogP3.37
Rot. Bonds2

About S-ethyl N-methyl-N-(2-methylcyclohexyl)carbamothioate

S-ethyl N-methyl-N-(2-methylcyclohexyl)carbamothioate (PubChem CID 21318327) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is S-ethyl N-methyl-N-(2-methylcyclohexyl)carbamothioate.

Molecular Properties

Compound NameS-ethyl N-methyl-N-(2-methylcyclohexyl)carbamothioate
PubChem CID21318327
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC NameS-ethyl N-methyl-N-(2-methylcyclohexyl)carbamothioate
SMILESCCSC(=O)N(C)C1CCCCC1C
InChIInChI=1S/C11H21NOS/c1-4-14-11(13)12(3)10-8-6-5-7-9(10)2/h9-10H,4-8H2,1-3H3
InChIKeyVMYTVQZKENEAJJ-UHFFFAOYSA-N
XLogP3.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(2-methylcyclohexyl)propanamide
CID 60735521
2-amino-2-ethyl-N-methyl-N-(2-methylcyclohexyl)butanamide
CID 79814559
3-(ethylamino)-N-methyl-N-(2-methylcyclohexyl)propanamide
CID 62835112
4-ethyl-N-methyl-N-(2-methylcyclohexyl)piperidine-4-carboxamide
CID 63128396
2-(cyclopentylamino)-N-methyl-N-(2-methylcyclohexyl)acetamide
CID 60939306
2-(1-aminocyclopentyl)-N-methyl-N-(2-methylcyclohexyl)acetamide
CID 64685881
3-[ethyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]propanoic acid
CID 55209464
4-ethyl-2-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114511568
1-[2-[methyl-(2-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 60953891
2,2-dimethyl-3-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64835983
2-methoxy-N-methyl-N-(2-methylcyclohexyl)propanamide
CID 112685758
2-bromo-N,3-dimethyl-N-(2-methylcyclohexyl)butanamide
CID 60949131

Frequently Asked Questions

What is the IUPAC name of S-ethyl N-methyl-N-(2-methylcyclohexyl)carbamothioate?
The IUPAC name of S-ethyl N-methyl-N-(2-methylcyclohexyl)carbamothioate (CID 21318327) is S-ethyl N-methyl-N-(2-methylcyclohexyl)carbamothioate.
What is the SMILES notation for S-ethyl N-methyl-N-(2-methylcyclohexyl)carbamothioate?
The canonical SMILES for S-ethyl N-methyl-N-(2-methylcyclohexyl)carbamothioate is CCSC(=O)N(C)C1CCCCC1C.
What is the InChIKey of S-ethyl N-methyl-N-(2-methylcyclohexyl)carbamothioate?
The InChIKey is VMYTVQZKENEAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-4-14-11(13)12(3)10-8-6-5-7-9(10)2/h9-10H,4-8H2,1-3H3.
What are the key properties of S-ethyl N-methyl-N-(2-methylcyclohexyl)carbamothioate?
S-ethyl N-methyl-N-(2-methylcyclohexyl)carbamothioate has a molecular weight of 215.36 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-ethyl N-methyl-N-(2-methylcyclohexyl)carbamothioate is sourced from PubChem (CID 21318327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).