1-[(1-hydroxycyclopentyl)methyl]-3-(1-thiophen-2-ylpropyl)urea

C14H22N2O2S — CID 111104096

IUPAC1-[(1-hydroxycyclopentyl)methyl]-3-(1-thiophen-2-ylpropyl)urea
SMILESCCC(NC(=O)NCC1(O)CCCC1)c1cccs1
InChIInChI=1S/C14H22N2O2S/c1-2-11(12-6-5-9-19-12)16-13(17)15-10-14(18)7-3-4-8-14/h5-6,9,11,18H,2-4,7-8,10H2,1H3,(H2,15,16,17)
InChIKeyXUSOWHNAHNRQGK-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.80
Rot. Bonds5

About 1-[(1-hydroxycyclopentyl)methyl]-3-(1-thiophen-2-ylpropyl)urea

1-[(1-hydroxycyclopentyl)methyl]-3-(1-thiophen-2-ylpropyl)urea (PubChem CID 111104096) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-[(1-hydroxycyclopentyl)methyl]-3-(1-thiophen-2-ylpropyl)urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclopentyl)methyl]-3-(1-thiophen-2-ylpropyl)urea
PubChem CID111104096
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-[(1-hydroxycyclopentyl)methyl]-3-(1-thiophen-2-ylpropyl)urea
SMILESCCC(NC(=O)NCC1(O)CCCC1)c1cccs1
InChIInChI=1S/C14H22N2O2S/c1-2-11(12-6-5-9-19-12)16-13(17)15-10-14(18)7-3-4-8-14/h5-6,9,11,18H,2-4,7-8,10H2,1H3,(H2,15,16,17)
InChIKeyXUSOWHNAHNRQGK-UHFFFAOYSA-N
XLogP2.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[(1-hydroxycyclobutyl)methyl]-3-thiophen-2-ylpropanamide
CID 115643278
1-benzyl-3-(1-thiophen-2-ylpropyl)urea
CID 47322594
2-[1-(1-thiophen-2-ylpropylcarbamoylamino)cyclobutyl]acetic acid
CID 79851534
1-[(4-methylsulfanyloxan-4-yl)methyl]-3-(1-thiophen-2-ylpropyl)urea
CID 71868510
1-[(1-hydroxycyclopentyl)methyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 111104417
2-[1-(methylamino)cyclohexyl]-N-(1-thiophen-2-ylpropyl)acetamide
CID 65241939
2,2-dimethyl-3-(1-thiophen-2-ylpropylcarbamoylamino)propanoic acid
CID 113308183
1-(2-hydroxy-3-methylpentyl)-3-(1-thiophen-2-ylpropyl)urea
CID 111338206
1-[(1,2-dithiophen-2-ylethylamino)methyl]cyclopentan-1-ol
CID 65105159
1-(1-thiophen-2-ylpropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62096618
(2R)-4-amino-4-oxo-2-(1-thiophen-2-ylpropylcarbamoylamino)butanoic acid
CID 107826898
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-3-(1-thiophen-2-ylpropyl)urea?
The IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-3-(1-thiophen-2-ylpropyl)urea (CID 111104096) is 1-[(1-hydroxycyclopentyl)methyl]-3-(1-thiophen-2-ylpropyl)urea.
What is the SMILES notation for 1-[(1-hydroxycyclopentyl)methyl]-3-(1-thiophen-2-ylpropyl)urea?
The canonical SMILES for 1-[(1-hydroxycyclopentyl)methyl]-3-(1-thiophen-2-ylpropyl)urea is CCC(NC(=O)NCC1(O)CCCC1)c1cccs1.
What is the InChIKey of 1-[(1-hydroxycyclopentyl)methyl]-3-(1-thiophen-2-ylpropyl)urea?
The InChIKey is XUSOWHNAHNRQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-2-11(12-6-5-9-19-12)16-13(17)15-10-14(18)7-3-4-8-14/h5-6,9,11,18H,2-4,7-8,10H2,1H3,(H2,15,16,17).
What are the key properties of 1-[(1-hydroxycyclopentyl)methyl]-3-(1-thiophen-2-ylpropyl)urea?
1-[(1-hydroxycyclopentyl)methyl]-3-(1-thiophen-2-ylpropyl)urea has a molecular weight of 282.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclopentyl)methyl]-3-(1-thiophen-2-ylpropyl)urea is sourced from PubChem (CID 111104096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).