methyl N-(thiolan-2-ylmethyl)carbamate

C7H13NO2S — CID 115692091

IUPACmethyl N-(thiolan-2-ylmethyl)carbamate
SMILESCOC(=O)NCC1CCCS1
InChIInChI=1S/C7H13NO2S/c1-10-7(9)8-5-6-3-2-4-11-6/h6H,2-5H2,1H3,(H,8,9)
InChIKeyYUOAZARCNJQDCF-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.24
Rot. Bonds2

About methyl N-(thiolan-2-ylmethyl)carbamate

methyl N-(thiolan-2-ylmethyl)carbamate (PubChem CID 115692091) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is methyl N-(thiolan-2-ylmethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(thiolan-2-ylmethyl)carbamate
PubChem CID115692091
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Namemethyl N-(thiolan-2-ylmethyl)carbamate
SMILESCOC(=O)NCC1CCCS1
InChIInChI=1S/C7H13NO2S/c1-10-7(9)8-5-6-3-2-4-11-6/h6H,2-5H2,1H3,(H,8,9)
InChIKeyYUOAZARCNJQDCF-UHFFFAOYSA-N
XLogP1.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-(thiolan-2-ylmethyl)carbamate?
The IUPAC name of methyl N-(thiolan-2-ylmethyl)carbamate (CID 115692091) is methyl N-(thiolan-2-ylmethyl)carbamate.
What is the SMILES notation for methyl N-(thiolan-2-ylmethyl)carbamate?
The canonical SMILES for methyl N-(thiolan-2-ylmethyl)carbamate is COC(=O)NCC1CCCS1.
What is the InChIKey of methyl N-(thiolan-2-ylmethyl)carbamate?
The InChIKey is YUOAZARCNJQDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-10-7(9)8-5-6-3-2-4-11-6/h6H,2-5H2,1H3,(H,8,9).
What are the key properties of methyl N-(thiolan-2-ylmethyl)carbamate?
methyl N-(thiolan-2-ylmethyl)carbamate has a molecular weight of 175.25 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(thiolan-2-ylmethyl)carbamate is sourced from PubChem (CID 115692091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).