1-methyl-1-[(3R)-thiolan-3-yl]urea

C6H12N2OS — CID 59831557

IUPAC1-methyl-1-[(3R)-thiolan-3-yl]urea
SMILESCN(C(N)=O)[C@@H]1CCSC1
InChIInChI=1S/C6H12N2OS/c1-8(6(7)9)5-2-3-10-4-5/h5H,2-4H2,1H3,(H2,7,9)/t5-/m1/s1
InChIKeyFWMUIBROHNIGHQ-RXMQYKEDSA-N
MW160.24 g/mol
LogP0.50
Rot. Bonds1

About 1-methyl-1-[(3R)-thiolan-3-yl]urea

1-methyl-1-[(3R)-thiolan-3-yl]urea (PubChem CID 59831557) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is 1-methyl-1-[(3R)-thiolan-3-yl]urea.

Molecular Properties

Compound Name1-methyl-1-[(3R)-thiolan-3-yl]urea
PubChem CID59831557
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC Name1-methyl-1-[(3R)-thiolan-3-yl]urea
SMILESCN(C(N)=O)[C@@H]1CCSC1
InChIInChI=1S/C6H12N2OS/c1-8(6(7)9)5-2-3-10-4-5/h5H,2-4H2,1H3,(H2,7,9)/t5-/m1/s1
InChIKeyFWMUIBROHNIGHQ-RXMQYKEDSA-N
XLogP0.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-1-[(3R)-thiolan-3-yl]urea 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 1-methyl-1-[(3R)-thiolan-3-yl]urea?
The IUPAC name of 1-methyl-1-[(3R)-thiolan-3-yl]urea (CID 59831557) is 1-methyl-1-[(3R)-thiolan-3-yl]urea.
What is the SMILES notation for 1-methyl-1-[(3R)-thiolan-3-yl]urea?
The canonical SMILES for 1-methyl-1-[(3R)-thiolan-3-yl]urea is CN(C(N)=O)[C@@H]1CCSC1.
What is the InChIKey of 1-methyl-1-[(3R)-thiolan-3-yl]urea?
The InChIKey is FWMUIBROHNIGHQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H12N2OS/c1-8(6(7)9)5-2-3-10-4-5/h5H,2-4H2,1H3,(H2,7,9)/t5-/m1/s1.
What are the key properties of 1-methyl-1-[(3R)-thiolan-3-yl]urea?
1-methyl-1-[(3R)-thiolan-3-yl]urea has a molecular weight of 160.24 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(3R)-thiolan-3-yl]urea is sourced from PubChem (CID 59831557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).