3-ethylsulfinyl-N-[(2-phenylcyclopropyl)methyl]cyclohexan-1-amine

C18H27NOS — CID 75430700

IUPAC3-ethylsulfinyl-N-[(2-phenylcyclopropyl)methyl]cyclohexan-1-amine
SMILESCCS(=O)C1CCCC(NCC2CC2c2ccccc2)C1
InChIInChI=1S/C18H27NOS/c1-2-21(20)17-10-6-9-16(12-17)19-13-15-11-18(15)14-7-4-3-5-8-14/h3-5,7-8,15-19H,2,6,9-13H2,1H3
InChIKeySYJHXRGZSLVKDS-UHFFFAOYSA-N
MW305.49 g/mol
LogP3.46
Rot. Bonds6

About 3-ethylsulfinyl-N-[(2-phenylcyclopropyl)methyl]cyclohexan-1-amine

3-ethylsulfinyl-N-[(2-phenylcyclopropyl)methyl]cyclohexan-1-amine (PubChem CID 75430700) has the molecular formula C18H27NOS and a molecular weight of 305.49 g/mol. Its IUPAC name is 3-ethylsulfinyl-N-[(2-phenylcyclopropyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-ethylsulfinyl-N-[(2-phenylcyclopropyl)methyl]cyclohexan-1-amine
PubChem CID75430700
Molecular FormulaC18H27NOS
Molecular Weight305.49 g/mol
Exact Mass305.18
IUPAC Name3-ethylsulfinyl-N-[(2-phenylcyclopropyl)methyl]cyclohexan-1-amine
SMILESCCS(=O)C1CCCC(NCC2CC2c2ccccc2)C1
InChIInChI=1S/C18H27NOS/c1-2-21(20)17-10-6-9-16(12-17)19-13-15-11-18(15)14-7-4-3-5-8-14/h3-5,7-8,15-19H,2,6,9-13H2,1H3
InChIKeySYJHXRGZSLVKDS-UHFFFAOYSA-N
XLogP3.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethylsulfinylcyclohexyl)-3-phenylurea
CID 71977015
N-(3-ethylsulfinylcyclohexyl)pyridin-2-amine
CID 133338221
3-ethylsulfinyl-N-[(3-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 71861678
2-amino-N-(3-ethylsulfinylcyclohexyl)-2-phenylacetamide
CID 119343736
3-ethylsulfinyl-N-[(2-pyridin-2-ylpyrimidin-4-yl)methyl]cyclohexan-1-amine
CID 167950992
1-(3-ethylsulfinylcyclohexyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111840874
ethyl 4-[[(1S,2R)-2-phenylcyclopropyl]methylamino]piperidine-1-carboxylate
CID 97056265
1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111841049
1-[(2-ethylphenyl)methyl]-3-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
CID 109437467
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[(2-phenyloxan-3-yl)methyl]guanidine;hydroiodide
CID 109440356
N-[(2-phenylcyclopropyl)methyl]acetamide
CID 70274109
N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide
CID 70274106

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfinyl-N-[(2-phenylcyclopropyl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-ethylsulfinyl-N-[(2-phenylcyclopropyl)methyl]cyclohexan-1-amine (CID 75430700) is 3-ethylsulfinyl-N-[(2-phenylcyclopropyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-ethylsulfinyl-N-[(2-phenylcyclopropyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-ethylsulfinyl-N-[(2-phenylcyclopropyl)methyl]cyclohexan-1-amine is CCS(=O)C1CCCC(NCC2CC2c2ccccc2)C1.
What is the InChIKey of 3-ethylsulfinyl-N-[(2-phenylcyclopropyl)methyl]cyclohexan-1-amine?
The InChIKey is SYJHXRGZSLVKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NOS/c1-2-21(20)17-10-6-9-16(12-17)19-13-15-11-18(15)14-7-4-3-5-8-14/h3-5,7-8,15-19H,2,6,9-13H2,1H3.
What are the key properties of 3-ethylsulfinyl-N-[(2-phenylcyclopropyl)methyl]cyclohexan-1-amine?
3-ethylsulfinyl-N-[(2-phenylcyclopropyl)methyl]cyclohexan-1-amine has a molecular weight of 305.49 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfinyl-N-[(2-phenylcyclopropyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 75430700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).