1-(2-hydroxypropyl)-3-(thiolan-3-yl)urea

C8H16N2O2S — CID 117234419

IUPAC1-(2-hydroxypropyl)-3-(thiolan-3-yl)urea
SMILESCC(O)CNC(=O)NC1CCSC1
InChIInChI=1S/C8H16N2O2S/c1-6(11)4-9-8(12)10-7-2-3-13-5-7/h6-7,11H,2-5H2,1H3,(H2,9,10,12)
InChIKeySVGMFLLFIDLFEF-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.17
Rot. Bonds3

About 1-(2-hydroxypropyl)-3-(thiolan-3-yl)urea

1-(2-hydroxypropyl)-3-(thiolan-3-yl)urea (PubChem CID 117234419) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 1-(2-hydroxypropyl)-3-(thiolan-3-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxypropyl)-3-(thiolan-3-yl)urea
PubChem CID117234419
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name1-(2-hydroxypropyl)-3-(thiolan-3-yl)urea
SMILESCC(O)CNC(=O)NC1CCSC1
InChIInChI=1S/C8H16N2O2S/c1-6(11)4-9-8(12)10-7-2-3-13-5-7/h6-7,11H,2-5H2,1H3,(H2,9,10,12)
InChIKeySVGMFLLFIDLFEF-UHFFFAOYSA-N
XLogP0.17
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-3-(thiolan-3-ylcarbamoylamino)propanoic acid
CID 106110602
1-cyclopentyl-3-[(2R)-2-hydroxypropyl]urea
CID 83040450
(2S)-1-[[(3S)-thiolan-3-yl]amino]propan-2-ol
CID 93033310
4-hydroxy-N-(thiolan-3-yl)pentanamide
CID 103064924
2-cyclopropyl-N-(thiolan-3-yl)propanamide
CID 127000268
(2S)-2-hydroxy-4-(thiolan-3-ylcarbamoylamino)butanoic acid
CID 107841463
2-hydroxy-4-(thiolan-3-ylcarbamoylamino)butanoic acid
CID 107841461
4-methyl-6-(thiolan-3-ylcarbamoylamino)hexanoic acid
CID 103063977
1-[(2S)-2-hydroxypropyl]-3-[(1R,3R)-3-methylcyclopentyl]urea
CID 100656188
3-amino-N-(thiolan-3-yl)butanamide
CID 103811759
N-[2-(2-hydroxypropylamino)ethyl]-2-(thian-4-yl)acetamide
CID 104593565
1-cyclopentyl-3-[2-(2-hydroxypropylamino)ethyl]urea
CID 104593877

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropyl)-3-(thiolan-3-yl)urea?
The IUPAC name of 1-(2-hydroxypropyl)-3-(thiolan-3-yl)urea (CID 117234419) is 1-(2-hydroxypropyl)-3-(thiolan-3-yl)urea.
What is the SMILES notation for 1-(2-hydroxypropyl)-3-(thiolan-3-yl)urea?
The canonical SMILES for 1-(2-hydroxypropyl)-3-(thiolan-3-yl)urea is CC(O)CNC(=O)NC1CCSC1.
What is the InChIKey of 1-(2-hydroxypropyl)-3-(thiolan-3-yl)urea?
The InChIKey is SVGMFLLFIDLFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-6(11)4-9-8(12)10-7-2-3-13-5-7/h6-7,11H,2-5H2,1H3,(H2,9,10,12).
What are the key properties of 1-(2-hydroxypropyl)-3-(thiolan-3-yl)urea?
1-(2-hydroxypropyl)-3-(thiolan-3-yl)urea has a molecular weight of 204.29 g/mol, XLogP of 0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyl)-3-(thiolan-3-yl)urea is sourced from PubChem (CID 117234419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).