methyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate

C8H15NO2S — CID 107299274

IUPACmethyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate
SMILESCOC(=O)NCC1(SC)CCC1
InChIInChI=1S/C8H15NO2S/c1-11-7(10)9-6-8(12-2)4-3-5-8/h3-6H2,1-2H3,(H,9,10)
InChIKeyYXEQXZIIJXHQSD-UHFFFAOYSA-N
MW189.28 g/mol
LogP1.63
Rot. Bonds3

About methyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate

methyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate (PubChem CID 107299274) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is methyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate
PubChem CID107299274
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Namemethyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate
SMILESCOC(=O)NCC1(SC)CCC1
InChIInChI=1S/C8H15NO2S/c1-11-7(10)9-6-8(12-2)4-3-5-8/h3-6H2,1-2H3,(H,9,10)
InChIKeyYXEQXZIIJXHQSD-UHFFFAOYSA-N
XLogP1.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate?
The IUPAC name of methyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate (CID 107299274) is methyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate.
What is the SMILES notation for methyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate?
The canonical SMILES for methyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate is COC(=O)NCC1(SC)CCC1.
What is the InChIKey of methyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate?
The InChIKey is YXEQXZIIJXHQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-11-7(10)9-6-8(12-2)4-3-5-8/h3-6H2,1-2H3,(H,9,10).
What are the key properties of methyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate?
methyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate has a molecular weight of 189.28 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate is sourced from PubChem (CID 107299274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).