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

C11H14N2OS — CID 2805565

IUPAC1-phenyl-3-(thiolan-3-yl)urea
SMILESO=C(Nc1ccccc1)NC1CCSC1
InChIInChI=1S/C11H14N2OS/c14-11(13-10-6-7-15-8-10)12-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,12,13,14)
InChIKeyJFHMWNBDBFNXRA-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.31
Rot. Bonds2

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

1-phenyl-3-(thiolan-3-yl)urea (PubChem CID 2805565) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-phenyl-3-(thiolan-3-yl)urea.

Molecular Properties

Compound Name1-phenyl-3-(thiolan-3-yl)urea
PubChem CID2805565
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name1-phenyl-3-(thiolan-3-yl)urea
SMILESO=C(Nc1ccccc1)NC1CCSC1
InChIInChI=1S/C11H14N2OS/c14-11(13-10-6-7-15-8-10)12-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,12,13,14)
InChIKeyJFHMWNBDBFNXRA-UHFFFAOYSA-N
XLogP2.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(thiolan-3-ylcarbamoylamino)phenyl]butanoic acid
CID 103064164
1-phenyl-3-(thian-4-yl)thiourea
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1-phenyl-3-(thian-3-yl)thiourea
CID 115675091
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806
2-methoxy-4-(thiolan-3-ylcarbamoylamino)benzoic acid
CID 107209601
1-(azetidin-3-yl)-3-phenylurea
CID 66185847
cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321479
2-amino-2-phenyl-N-(thiolan-3-yl)acetamide
CID 103797147
3-fluoro-4-(thiolan-3-ylcarbamoylamino)benzoic acid
CID 103064167
1-(2-methylquinolin-5-yl)-3-[(3S)-thiolan-3-yl]urea
CID 97443734
1-(1-methylazetidin-3-yl)-3-phenylurea
CID 70794092
2-[2-(thiolan-3-ylcarbamoylamino)ethyl]benzoic acid
CID 103063941

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(thiolan-3-yl)urea?
The IUPAC name of 1-phenyl-3-(thiolan-3-yl)urea (CID 2805565) is 1-phenyl-3-(thiolan-3-yl)urea.
What is the SMILES notation for 1-phenyl-3-(thiolan-3-yl)urea?
The canonical SMILES for 1-phenyl-3-(thiolan-3-yl)urea is O=C(Nc1ccccc1)NC1CCSC1.
What is the InChIKey of 1-phenyl-3-(thiolan-3-yl)urea?
The InChIKey is JFHMWNBDBFNXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c14-11(13-10-6-7-15-8-10)12-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,12,13,14).
What are the key properties of 1-phenyl-3-(thiolan-3-yl)urea?
1-phenyl-3-(thiolan-3-yl)urea has a molecular weight of 222.31 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(thiolan-3-yl)urea is sourced from PubChem (CID 2805565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).