1-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)urea

C17H33N3O2S — CID 71976524

IUPAC1-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)urea
SMILESCCN1CCCCC1CNC(=O)NC1CCCC(S(=O)CC)C1
InChIInChI=1S/C17H33N3O2S/c1-3-20-11-6-5-9-15(20)13-18-17(21)19-14-8-7-10-16(12-14)23(22)4-2/h14-16H,3-13H2,1-2H3,(H2,18,19,21)
InChIKeySHVABOGRMBHZLE-UHFFFAOYSA-N
MW343.54 g/mol
LogP2.24
Rot. Bonds6

About 1-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)urea

1-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)urea (PubChem CID 71976524) has the molecular formula C17H33N3O2S and a molecular weight of 343.54 g/mol. Its IUPAC name is 1-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)urea.

Molecular Properties

Compound Name1-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)urea
PubChem CID71976524
Molecular FormulaC17H33N3O2S
Molecular Weight343.54 g/mol
Exact Mass343.23
IUPAC Name1-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)urea
SMILESCCN1CCCCC1CNC(=O)NC1CCCC(S(=O)CC)C1
InChIInChI=1S/C17H33N3O2S/c1-3-20-11-6-5-9-15(20)13-18-17(21)19-14-8-7-10-16(12-14)23(22)4-2/h14-16H,3-13H2,1-2H3,(H2,18,19,21)
InChIKeySHVABOGRMBHZLE-UHFFFAOYSA-N
XLogP2.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
CID 109437671
1-ethyl-2-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)guanidine
CID 109439197
1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[(1S,3R)-3-[(R)-ethylsulfinyl]cyclohexyl]urea
CID 96512971
1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)guanidine;hydroiodide
CID 109439318
1-(3-ethylsulfinylcyclohexyl)-2-methyl-3-[[1-(2-methylpropyl)piperidin-2-yl]methyl]guanidine;hydroiodide
CID 109439416
ethyl 4-[[(2R)-1-ethylpiperidin-2-yl]methylcarbamoylamino]piperidine-1-carboxylate
CID 95765263
1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxycyclohexyl)urea
CID 111841041
tert-butyl 2-[[[N-(3-ethylsulfinylcyclohexyl)-N'-methylcarbamimidoyl]amino]methyl]piperidine-1-carboxylate
CID 109437031
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[[1-(2-methylpropyl)piperidin-2-yl]methyl]guanidine;hydroiodide
CID 109437800
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64816503
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-(4-pyrrolidin-1-ylbutyl)guanidine
CID 109439917
1-[2-(azepan-1-yl)ethyl]-3-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
CID 109438423

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)urea?
The IUPAC name of 1-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)urea (CID 71976524) is 1-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)urea.
What is the SMILES notation for 1-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)urea?
The canonical SMILES for 1-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)urea is CCN1CCCCC1CNC(=O)NC1CCCC(S(=O)CC)C1.
What is the InChIKey of 1-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)urea?
The InChIKey is SHVABOGRMBHZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2S/c1-3-20-11-6-5-9-15(20)13-18-17(21)19-14-8-7-10-16(12-14)23(22)4-2/h14-16H,3-13H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)urea?
1-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)urea has a molecular weight of 343.54 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpiperidin-2-yl)methyl]-3-(3-ethylsulfinylcyclohexyl)urea is sourced from PubChem (CID 71976524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).