S-(2-methylcyclopropyl) N-methylcarbamothioate

C6H11NOS — CID 122662662

IUPACS-(2-methylcyclopropyl) N-methylcarbamothioate
SMILESCNC(=O)SC1CC1C
InChIInChI=1S/C6H11NOS/c1-4-3-5(4)9-6(8)7-2/h4-5H,3H2,1-2H3,(H,7,8)
InChIKeyBKRWYABRDWRAGM-UHFFFAOYSA-N
MW145.23 g/mol
LogP1.47
Rot. Bonds1

About S-(2-methylcyclopropyl) N-methylcarbamothioate

S-(2-methylcyclopropyl) N-methylcarbamothioate (PubChem CID 122662662) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is S-(2-methylcyclopropyl) N-methylcarbamothioate.

Molecular Properties

Compound NameS-(2-methylcyclopropyl) N-methylcarbamothioate
PubChem CID122662662
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC NameS-(2-methylcyclopropyl) N-methylcarbamothioate
SMILESCNC(=O)SC1CC1C
InChIInChI=1S/C6H11NOS/c1-4-3-5(4)9-6(8)7-2/h4-5H,3H2,1-2H3,(H,7,8)
InChIKeyBKRWYABRDWRAGM-UHFFFAOYSA-N
XLogP1.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 51.47
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

S-[(1S)-cyclohex-2-en-1-yl] N-methylcarbamothioate
CID 11019319
1-(2-methylcyclopropyl)pentane-1,3-dione
CID 131230406
sodium;hydride;S-methyl N-methylcarbamothioate
CID 174959899
2-(methylcarbamoyl)cyclopropane-1-carboxylic acid
CID 45084193
(3S)-3-(methylcarbamoyl)cyclohexane-1-carboxylic acid
CID 54034306
(2S)-2-methylcyclopropane-1-carboxylic acid
CID 70278837
trans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid
CID 6995705
(2-methylcyclopropyl) thiohypochlorite
CID 139548096
2-[1-(methylamino)ethenyl]cyclopropane-1-carboxylic acid
CID 155310064
1,3-dimethylurea;methane;S-methyl N-methylcarbamothioate
CID 162094080
cis-(1R,4S)-2,5-dimethylcyclohexane-1,4-dicarboxylic acid
CID 22841267
(1S,2S,4R,5R)-4,5-dimethylcyclohexane-1,2-dicarboxylic acid
CID 124821426

Frequently Asked Questions

What is the IUPAC name of S-(2-methylcyclopropyl) N-methylcarbamothioate?
The IUPAC name of S-(2-methylcyclopropyl) N-methylcarbamothioate (CID 122662662) is S-(2-methylcyclopropyl) N-methylcarbamothioate.
What is the SMILES notation for S-(2-methylcyclopropyl) N-methylcarbamothioate?
The canonical SMILES for S-(2-methylcyclopropyl) N-methylcarbamothioate is CNC(=O)SC1CC1C.
What is the InChIKey of S-(2-methylcyclopropyl) N-methylcarbamothioate?
The InChIKey is BKRWYABRDWRAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-4-3-5(4)9-6(8)7-2/h4-5H,3H2,1-2H3,(H,7,8).
What are the key properties of S-(2-methylcyclopropyl) N-methylcarbamothioate?
S-(2-methylcyclopropyl) N-methylcarbamothioate has a molecular weight of 145.23 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-(2-methylcyclopropyl) N-methylcarbamothioate is sourced from PubChem (CID 122662662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).