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

C8H16N2OS — CID 67582216

IUPAC1-ethyl-3-methyl-1-[(3R)-thiolan-3-yl]urea
SMILESCCN(C(=O)NC)[C@@H]1CCSC1
InChIInChI=1S/C8H16N2OS/c1-3-10(8(11)9-2)7-4-5-12-6-7/h7H,3-6H2,1-2H3,(H,9,11)/t7-/m1/s1
InChIKeyOFQRAIICJSHTQQ-SSDOTTSWSA-N
MW188.30 g/mol
LogP1.15
Rot. Bonds2

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

1-ethyl-3-methyl-1-[(3R)-thiolan-3-yl]urea (PubChem CID 67582216) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 1-ethyl-3-methyl-1-[(3R)-thiolan-3-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-methyl-1-[(3R)-thiolan-3-yl]urea
PubChem CID67582216
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name1-ethyl-3-methyl-1-[(3R)-thiolan-3-yl]urea
SMILESCCN(C(=O)NC)[C@@H]1CCSC1
InChIInChI=1S/C8H16N2OS/c1-3-10(8(11)9-2)7-4-5-12-6-7/h7H,3-6H2,1-2H3,(H,9,11)/t7-/m1/s1
InChIKeyOFQRAIICJSHTQQ-SSDOTTSWSA-N
XLogP1.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-1-[(3R)-thiolan-3-yl]urea?
The IUPAC name of 1-ethyl-3-methyl-1-[(3R)-thiolan-3-yl]urea (CID 67582216) is 1-ethyl-3-methyl-1-[(3R)-thiolan-3-yl]urea.
What is the SMILES notation for 1-ethyl-3-methyl-1-[(3R)-thiolan-3-yl]urea?
The canonical SMILES for 1-ethyl-3-methyl-1-[(3R)-thiolan-3-yl]urea is CCN(C(=O)NC)[C@@H]1CCSC1.
What is the InChIKey of 1-ethyl-3-methyl-1-[(3R)-thiolan-3-yl]urea?
The InChIKey is OFQRAIICJSHTQQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-3-10(8(11)9-2)7-4-5-12-6-7/h7H,3-6H2,1-2H3,(H,9,11)/t7-/m1/s1.
What are the key properties of 1-ethyl-3-methyl-1-[(3R)-thiolan-3-yl]urea?
1-ethyl-3-methyl-1-[(3R)-thiolan-3-yl]urea has a molecular weight of 188.30 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-1-[(3R)-thiolan-3-yl]urea is sourced from PubChem (CID 67582216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).