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

C14H22N2O2S — CID 71868184

IUPAC1-[(2-hydroxycyclopentyl)methyl]-3-(2-thiophen-2-ylpropyl)urea
SMILESCC(CNC(=O)NCC1CCCC1O)c1cccs1
InChIInChI=1S/C14H22N2O2S/c1-10(13-6-3-7-19-13)8-15-14(18)16-9-11-4-2-5-12(11)17/h3,6-7,10-12,17H,2,4-5,8-9H2,1H3,(H2,15,16,18)
InChIKeyAPAGXCMIZUUHTM-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.31
Rot. Bonds5

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

1-[(2-hydroxycyclopentyl)methyl]-3-(2-thiophen-2-ylpropyl)urea (PubChem CID 71868184) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-[(2-hydroxycyclopentyl)methyl]-3-(2-thiophen-2-ylpropyl)urea.

Molecular Properties

Compound Name1-[(2-hydroxycyclopentyl)methyl]-3-(2-thiophen-2-ylpropyl)urea
PubChem CID71868184
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-[(2-hydroxycyclopentyl)methyl]-3-(2-thiophen-2-ylpropyl)urea
SMILESCC(CNC(=O)NCC1CCCC1O)c1cccs1
InChIInChI=1S/C14H22N2O2S/c1-10(13-6-3-7-19-13)8-15-14(18)16-9-11-4-2-5-12(11)17/h3,6-7,10-12,17H,2,4-5,8-9H2,1H3,(H2,15,16,18)
InChIKeyAPAGXCMIZUUHTM-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3R)-3-hydroxythiolan-3-yl]methyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea
CID 97087400
1-[(1-methoxycyclobutyl)methyl]-3-(2-thiophen-2-ylpropyl)urea
CID 86785501
1-[(1R)-1-(oxan-4-yl)ethyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea
CID 97087338
1-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[(2R)-2-thiophen-2-ylpropyl]urea
CID 97048749
N-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-phenylpropanamide
CID 111471021
1-[[4-[(S)-methylsulfinyl]phenyl]methyl]-3-[(2R)-2-thiophen-2-ylpropyl]urea
CID 97087435
2-(5-bromothiophen-2-yl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 111471124
1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea
CID 95967673
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-thiophen-2-ylpropyl)urea
CID 111481743
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylpropanamide
CID 120948169
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea;hydrochloride
CID 170913337
N-[(2-hydroxycyclopentyl)methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 111471238

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-3-(2-thiophen-2-ylpropyl)urea?
The IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-3-(2-thiophen-2-ylpropyl)urea (CID 71868184) is 1-[(2-hydroxycyclopentyl)methyl]-3-(2-thiophen-2-ylpropyl)urea.
What is the SMILES notation for 1-[(2-hydroxycyclopentyl)methyl]-3-(2-thiophen-2-ylpropyl)urea?
The canonical SMILES for 1-[(2-hydroxycyclopentyl)methyl]-3-(2-thiophen-2-ylpropyl)urea is CC(CNC(=O)NCC1CCCC1O)c1cccs1.
What is the InChIKey of 1-[(2-hydroxycyclopentyl)methyl]-3-(2-thiophen-2-ylpropyl)urea?
The InChIKey is APAGXCMIZUUHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10(13-6-3-7-19-13)8-15-14(18)16-9-11-4-2-5-12(11)17/h3,6-7,10-12,17H,2,4-5,8-9H2,1H3,(H2,15,16,18).
What are the key properties of 1-[(2-hydroxycyclopentyl)methyl]-3-(2-thiophen-2-ylpropyl)urea?
1-[(2-hydroxycyclopentyl)methyl]-3-(2-thiophen-2-ylpropyl)urea has a molecular weight of 282.41 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclopentyl)methyl]-3-(2-thiophen-2-ylpropyl)urea is sourced from PubChem (CID 71868184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).