1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-(pyridin-2-ylmethyl)urea

C15H23N3OS — CID 97058890

IUPAC1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-(pyridin-2-ylmethyl)urea
SMILESCCS[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccn1
InChIInChI=1S/C15H23N3OS/c1-2-20-14-9-4-3-8-13(14)18-15(19)17-11-12-7-5-6-10-16-12/h5-7,10,13-14H,2-4,8-9,11H2,1H3,(H2,17,18,19)/t13-,14-/m1/s1
InChIKeyJAKUBJYSCIHXHR-ZIAGYGMSSA-N
MW293.44 g/mol
LogP2.95
Rot. Bonds5

About 1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-(pyridin-2-ylmethyl)urea

1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-(pyridin-2-ylmethyl)urea (PubChem CID 97058890) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-(pyridin-2-ylmethyl)urea
PubChem CID97058890
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-(pyridin-2-ylmethyl)urea
SMILESCCS[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccn1
InChIInChI=1S/C15H23N3OS/c1-2-20-14-9-4-3-8-13(14)18-15(19)17-11-12-7-5-6-10-16-12/h5-7,10,13-14H,2-4,8-9,11H2,1H3,(H2,17,18,19)/t13-,14-/m1/s1
InChIKeyJAKUBJYSCIHXHR-ZIAGYGMSSA-N
XLogP2.95
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylcyclohexyl)-3-(pyridin-2-ylmethyl)urea
CID 47125969
1-[(3aR,4R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]-3-(pyridin-2-ylmethyl)urea
CID 97225989
N'-[(1S,2S)-2-methylcyclohexyl]-N-(pyridin-2-ylmethyl)oxamide
CID 124605707
1-(2-ethylsulfanylcyclopentyl)-3-pyridin-3-ylurea
CID 71863043
1-[(1S,3R)-3-[(R)-ethylsulfinyl]cyclohexyl]-3-(pyridin-2-ylmethyl)urea
CID 97058744
N'-cyclohexyl-N-(pyridin-2-ylmethyl)oxamide
CID 2844203
2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide
CID 47126081
trans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 25052289
1-cyclopentyl-3-(pyridin-2-ylmethyl)thiourea
CID 19686556
2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 19005858
N-(2-ethylsulfanylcyclopentyl)-2,6-dihydroxybenzamide
CID 103892655
cis-(1R,2S)-2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylate
CID 6949299

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-(pyridin-2-ylmethyl)urea (CID 97058890) is 1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-(pyridin-2-ylmethyl)urea is CCS[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccn1.
What is the InChIKey of 1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-(pyridin-2-ylmethyl)urea?
The InChIKey is JAKUBJYSCIHXHR-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-2-20-14-9-4-3-8-13(14)18-15(19)17-11-12-7-5-6-10-16-12/h5-7,10,13-14H,2-4,8-9,11H2,1H3,(H2,17,18,19)/t13-,14-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-(pyridin-2-ylmethyl)urea?
1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-(pyridin-2-ylmethyl)urea has a molecular weight of 293.44 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 97058890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).