1-methyl-3-(thiolan-3-yl)urea

C6H12N2OS — CID 77483990

IUPAC1-methyl-3-(thiolan-3-yl)urea
SMILESCNC(=O)NC1CCSC1
InChIInChI=1S/C6H12N2OS/c1-7-6(9)8-5-2-3-10-4-5/h5H,2-4H2,1H3,(H2,7,8,9)
InChIKeyLEWAZBXFZGXIPF-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.42
Rot. Bonds1

About 1-methyl-3-(thiolan-3-yl)urea

1-methyl-3-(thiolan-3-yl)urea (PubChem CID 77483990) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is 1-methyl-3-(thiolan-3-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(thiolan-3-yl)urea
PubChem CID77483990
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC Name1-methyl-3-(thiolan-3-yl)urea
SMILESCNC(=O)NC1CCSC1
InChIInChI=1S/C6H12N2OS/c1-7-6(9)8-5-2-3-10-4-5/h5H,2-4H2,1H3,(H2,7,8,9)
InChIKeyLEWAZBXFZGXIPF-UHFFFAOYSA-N
XLogP0.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(thiolan-3-yl)urea?
The IUPAC name of 1-methyl-3-(thiolan-3-yl)urea (CID 77483990) is 1-methyl-3-(thiolan-3-yl)urea.
What is the SMILES notation for 1-methyl-3-(thiolan-3-yl)urea?
The canonical SMILES for 1-methyl-3-(thiolan-3-yl)urea is CNC(=O)NC1CCSC1.
What is the InChIKey of 1-methyl-3-(thiolan-3-yl)urea?
The InChIKey is LEWAZBXFZGXIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS/c1-7-6(9)8-5-2-3-10-4-5/h5H,2-4H2,1H3,(H2,7,8,9).
What are the key properties of 1-methyl-3-(thiolan-3-yl)urea?
1-methyl-3-(thiolan-3-yl)urea has a molecular weight of 160.24 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(thiolan-3-yl)urea is sourced from PubChem (CID 77483990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).