1-(1-hydroxybutan-2-yl)-3-(thiophen-3-ylmethyl)urea

C10H16N2O2S — CID 110892400

IUPAC1-(1-hydroxybutan-2-yl)-3-(thiophen-3-ylmethyl)urea
SMILESCCC(CO)NC(=O)NCc1ccsc1
InChIInChI=1S/C10H16N2O2S/c1-2-9(6-13)12-10(14)11-5-8-3-4-15-7-8/h3-4,7,9,13H,2,5-6H2,1H3,(H2,11,12,14)
InChIKeyQHZIZGBXJPERAF-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.32
Rot. Bonds5

About 1-(1-hydroxybutan-2-yl)-3-(thiophen-3-ylmethyl)urea

1-(1-hydroxybutan-2-yl)-3-(thiophen-3-ylmethyl)urea (PubChem CID 110892400) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-(1-hydroxybutan-2-yl)-3-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(1-hydroxybutan-2-yl)-3-(thiophen-3-ylmethyl)urea
PubChem CID110892400
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name1-(1-hydroxybutan-2-yl)-3-(thiophen-3-ylmethyl)urea
SMILESCCC(CO)NC(=O)NCc1ccsc1
InChIInChI=1S/C10H16N2O2S/c1-2-9(6-13)12-10(14)11-5-8-3-4-15-7-8/h3-4,7,9,13H,2,5-6H2,1H3,(H2,11,12,14)
InChIKeyQHZIZGBXJPERAF-UHFFFAOYSA-N
XLogP1.32
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxybutan-2-yl)-3-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1-(1-hydroxybutan-2-yl)-3-(thiophen-3-ylmethyl)urea (CID 110892400) is 1-(1-hydroxybutan-2-yl)-3-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1-(1-hydroxybutan-2-yl)-3-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1-(1-hydroxybutan-2-yl)-3-(thiophen-3-ylmethyl)urea is CCC(CO)NC(=O)NCc1ccsc1.
What is the InChIKey of 1-(1-hydroxybutan-2-yl)-3-(thiophen-3-ylmethyl)urea?
The InChIKey is QHZIZGBXJPERAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-2-9(6-13)12-10(14)11-5-8-3-4-15-7-8/h3-4,7,9,13H,2,5-6H2,1H3,(H2,11,12,14).
What are the key properties of 1-(1-hydroxybutan-2-yl)-3-(thiophen-3-ylmethyl)urea?
1-(1-hydroxybutan-2-yl)-3-(thiophen-3-ylmethyl)urea has a molecular weight of 228.32 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxybutan-2-yl)-3-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 110892400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).