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

C14H22N2O2S — CID 111509669

IUPAC1-[(1-hydroxycyclopentyl)methyl]-3-(2-thiophen-3-ylpropyl)urea
SMILESCC(CNC(=O)NCC1(O)CCCC1)c1ccsc1
InChIInChI=1S/C14H22N2O2S/c1-11(12-4-7-19-9-12)8-15-13(17)16-10-14(18)5-2-3-6-14/h4,7,9,11,18H,2-3,5-6,8,10H2,1H3,(H2,15,16,17)
InChIKeyLSXSKPCXSSQCFF-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.46
Rot. Bonds5

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

1-[(1-hydroxycyclopentyl)methyl]-3-(2-thiophen-3-ylpropyl)urea (PubChem CID 111509669) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-[(1-hydroxycyclopentyl)methyl]-3-(2-thiophen-3-ylpropyl)urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclopentyl)methyl]-3-(2-thiophen-3-ylpropyl)urea
PubChem CID111509669
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-[(1-hydroxycyclopentyl)methyl]-3-(2-thiophen-3-ylpropyl)urea
SMILESCC(CNC(=O)NCC1(O)CCCC1)c1ccsc1
InChIInChI=1S/C14H22N2O2S/c1-11(12-4-7-19-9-12)8-15-13(17)16-10-14(18)5-2-3-6-14/h4,7,9,11,18H,2-3,5-6,8,10H2,1H3,(H2,15,16,17)
InChIKeyLSXSKPCXSSQCFF-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
CID 62840169
1-ethyl-2-[(1-hydroxycyclohexyl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111988778
1-[(9R)-6-oxaspiro[4.5]decan-9-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea
CID 97234996
1-[(9S)-6-oxaspiro[4.5]decan-9-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea
CID 97234998
N-[(4-hydroxyoxan-4-yl)methyl]-2-thiophen-3-ylpropanamide
CID 111486054
2-[1-[(1-thiophen-3-ylethylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81162908
1-[(3R)-1-hydroxy-3-methylpentan-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea
CID 97237076
1-[[(3R)-3-hydroxythiolan-3-yl]methyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea
CID 97087400
1-[[(1S)-1-thiophen-3-ylethyl]carbamoylamino]cyclopentane-1-carboxamide
CID 125443030
N-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide
CID 110626464
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea
CID 97019953
1-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-(2-thiophen-3-ylpropyl)urea
CID 111795197

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-3-(2-thiophen-3-ylpropyl)urea?
The IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-3-(2-thiophen-3-ylpropyl)urea (CID 111509669) is 1-[(1-hydroxycyclopentyl)methyl]-3-(2-thiophen-3-ylpropyl)urea.
What is the SMILES notation for 1-[(1-hydroxycyclopentyl)methyl]-3-(2-thiophen-3-ylpropyl)urea?
The canonical SMILES for 1-[(1-hydroxycyclopentyl)methyl]-3-(2-thiophen-3-ylpropyl)urea is CC(CNC(=O)NCC1(O)CCCC1)c1ccsc1.
What is the InChIKey of 1-[(1-hydroxycyclopentyl)methyl]-3-(2-thiophen-3-ylpropyl)urea?
The InChIKey is LSXSKPCXSSQCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11(12-4-7-19-9-12)8-15-13(17)16-10-14(18)5-2-3-6-14/h4,7,9,11,18H,2-3,5-6,8,10H2,1H3,(H2,15,16,17).
What are the key properties of 1-[(1-hydroxycyclopentyl)methyl]-3-(2-thiophen-3-ylpropyl)urea?
1-[(1-hydroxycyclopentyl)methyl]-3-(2-thiophen-3-ylpropyl)urea has a molecular weight of 282.41 g/mol, XLogP of 2.46, 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-(2-thiophen-3-ylpropyl)urea is sourced from PubChem (CID 111509669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).