1-(2-ethylsulfanylcyclopentyl)-3-pyridin-3-ylurea

C13H19N3OS — CID 71863043

IUPAC1-(2-ethylsulfanylcyclopentyl)-3-pyridin-3-ylurea
SMILESCCSC1CCCC1NC(=O)Nc1cccnc1
InChIInChI=1S/C13H19N3OS/c1-2-18-12-7-3-6-11(12)16-13(17)15-10-5-4-8-14-9-10/h4-5,8-9,11-12H,2-3,6-7H2,1H3,(H2,15,16,17)
InChIKeyBFSFIYNDBXYZGI-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.88
Rot. Bonds4

About 1-(2-ethylsulfanylcyclopentyl)-3-pyridin-3-ylurea

1-(2-ethylsulfanylcyclopentyl)-3-pyridin-3-ylurea (PubChem CID 71863043) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(2-ethylsulfanylcyclopentyl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(2-ethylsulfanylcyclopentyl)-3-pyridin-3-ylurea
PubChem CID71863043
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name1-(2-ethylsulfanylcyclopentyl)-3-pyridin-3-ylurea
SMILESCCSC1CCCC1NC(=O)Nc1cccnc1
InChIInChI=1S/C13H19N3OS/c1-2-18-12-7-3-6-11(12)16-13(17)15-10-5-4-8-14-9-10/h4-5,8-9,11-12H,2-3,6-7H2,1H3,(H2,15,16,17)
InChIKeyBFSFIYNDBXYZGI-UHFFFAOYSA-N
XLogP2.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylsulfanylcyclopentyl)-3-(3-fluoro-4-pyridinyl)urea
CID 75506436
1-cyclobutyl-3-pyridin-3-ylurea
CID 115617592
1-(1-ethylpiperidin-4-yl)-3-pyridin-3-ylurea
CID 47014459
1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 98775732
1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-(pyridin-2-ylmethyl)urea
CID 97058890
N-(2-ethylsulfanylcyclopentyl)-2,6-dihydroxybenzamide
CID 103892655
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R,2R)-2-ethylsulfanylcyclopentyl]urea
CID 97030065
3-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114121663
1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-pyridin-3-ylurea
CID 75529486
1-(cyclopentylmethyl)-3-pyridin-3-ylurea
CID 47166711
4-acetamido-N-(2-ethylsulfanylcyclohexyl)benzamide
CID 71976692
4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide
CID 39890660

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanylcyclopentyl)-3-pyridin-3-ylurea?
The IUPAC name of 1-(2-ethylsulfanylcyclopentyl)-3-pyridin-3-ylurea (CID 71863043) is 1-(2-ethylsulfanylcyclopentyl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(2-ethylsulfanylcyclopentyl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(2-ethylsulfanylcyclopentyl)-3-pyridin-3-ylurea is CCSC1CCCC1NC(=O)Nc1cccnc1.
What is the InChIKey of 1-(2-ethylsulfanylcyclopentyl)-3-pyridin-3-ylurea?
The InChIKey is BFSFIYNDBXYZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-2-18-12-7-3-6-11(12)16-13(17)15-10-5-4-8-14-9-10/h4-5,8-9,11-12H,2-3,6-7H2,1H3,(H2,15,16,17).
What are the key properties of 1-(2-ethylsulfanylcyclopentyl)-3-pyridin-3-ylurea?
1-(2-ethylsulfanylcyclopentyl)-3-pyridin-3-ylurea has a molecular weight of 265.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanylcyclopentyl)-3-pyridin-3-ylurea is sourced from PubChem (CID 71863043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).