1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-[(1R)-1-pyridin-4-ylethyl]urea

C16H25N3OS — CID 98775732

IUPAC1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-[(1R)-1-pyridin-4-ylethyl]urea
SMILESCCS[C@@H]1CCCC[C@H]1NC(=O)N[C@H](C)c1ccncc1
InChIInChI=1S/C16H25N3OS/c1-3-21-15-7-5-4-6-14(15)19-16(20)18-12(2)13-8-10-17-11-9-13/h8-12,14-15H,3-7H2,1-2H3,(H2,18,19,20)/t12-,14-,15-/m1/s1
InChIKeyWOARYIGUEIKZLM-BPLDGKMQSA-N
MW307.46 g/mol
LogP3.51
Rot. Bonds5

About 1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-[(1R)-1-pyridin-4-ylethyl]urea

1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-[(1R)-1-pyridin-4-ylethyl]urea (PubChem CID 98775732) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-[(1R)-1-pyridin-4-ylethyl]urea.

Molecular Properties

Compound Name1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-[(1R)-1-pyridin-4-ylethyl]urea
PubChem CID98775732
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-[(1R)-1-pyridin-4-ylethyl]urea
SMILESCCS[C@@H]1CCCC[C@H]1NC(=O)N[C@H](C)c1ccncc1
InChIInChI=1S/C16H25N3OS/c1-3-21-15-7-5-4-6-14(15)19-16(20)18-12(2)13-8-10-17-11-9-13/h8-12,14-15H,3-7H2,1-2H3,(H2,18,19,20)/t12-,14-,15-/m1/s1
InChIKeyWOARYIGUEIKZLM-BPLDGKMQSA-N
XLogP3.51
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-[(1R)-1-pyridin-4-ylethyl]urea with MolForge

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Related Compounds

1-cyclopropyl-3-(1-pyridin-4-ylethyl)urea
CID 115575131
1-(2-ethylsulfanylcyclohexyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111840883
1-(2-ethylsulfanylcyclopentyl)-3-(3-fluoro-4-pyridinyl)urea
CID 75506436
1-(2-ethylsulfanylcyclopentyl)-3-pyridin-3-ylurea
CID 71863043
1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-(pyridin-2-ylmethyl)urea
CID 97058890
1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea
CID 110748295
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(1-pyridin-4-ylethyl)urea
CID 111630344
2-amino-N-(2-ethylsulfanylcyclohexyl)propanamide;hydrochloride
CID 119337965
(2R)-2-amino-N-(2-ethylsulfanylcyclohexyl)propanamide;hydrochloride
CID 119337969
1-(oxolan-3-yl)-3-(1-pyridin-4-ylethyl)urea
CID 115758270
2-cyclohexyl-N-[2-oxo-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethyl]acetamide
CID 95282016
3-amino-N-(2-ethylsulfanylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119952204

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-[(1R)-1-pyridin-4-ylethyl]urea?
The IUPAC name of 1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-[(1R)-1-pyridin-4-ylethyl]urea (CID 98775732) is 1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-[(1R)-1-pyridin-4-ylethyl]urea.
What is the SMILES notation for 1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-[(1R)-1-pyridin-4-ylethyl]urea?
The canonical SMILES for 1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-[(1R)-1-pyridin-4-ylethyl]urea is CCS[C@@H]1CCCC[C@H]1NC(=O)N[C@H](C)c1ccncc1.
What is the InChIKey of 1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-[(1R)-1-pyridin-4-ylethyl]urea?
The InChIKey is WOARYIGUEIKZLM-BPLDGKMQSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-3-21-15-7-5-4-6-14(15)19-16(20)18-12(2)13-8-10-17-11-9-13/h8-12,14-15H,3-7H2,1-2H3,(H2,18,19,20)/t12-,14-,15-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-[(1R)-1-pyridin-4-ylethyl]urea?
1-[(1R,2R)-2-ethylsulfanylcyclohexyl]-3-[(1R)-1-pyridin-4-ylethyl]urea has a molecular weight of 307.46 g/mol, XLogP of 3.51, 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-[(1R)-1-pyridin-4-ylethyl]urea is sourced from PubChem (CID 98775732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).