N-[[4-ethyl-2-(2-propylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine

C17H33NO2S — CID 106735608

IUPACN-[[4-ethyl-2-(2-propylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine
SMILESCCCS(=O)(=O)CCC1CC(CC)CCC1CNC1CC1
InChIInChI=1S/C17H33NO2S/c1-3-10-21(19,20)11-9-15-12-14(4-2)5-6-16(15)13-18-17-7-8-17/h14-18H,3-13H2,1-2H3
InChIKeyWEGIQLQUCXYLDL-UHFFFAOYSA-N
MW315.52 g/mol
LogP3.40
Rot. Bonds9

About N-[[4-ethyl-2-(2-propylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine

N-[[4-ethyl-2-(2-propylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine (PubChem CID 106735608) has the molecular formula C17H33NO2S and a molecular weight of 315.52 g/mol. Its IUPAC name is N-[[4-ethyl-2-(2-propylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(2-propylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine
PubChem CID106735608
Molecular FormulaC17H33NO2S
Molecular Weight315.52 g/mol
Exact Mass315.22
IUPAC NameN-[[4-ethyl-2-(2-propylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine
SMILESCCCS(=O)(=O)CCC1CC(CC)CCC1CNC1CC1
InChIInChI=1S/C17H33NO2S/c1-3-10-21(19,20)11-9-15-12-14(4-2)5-6-16(15)13-18-17-7-8-17/h14-18H,3-13H2,1-2H3
InChIKeyWEGIQLQUCXYLDL-UHFFFAOYSA-N
XLogP3.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.52
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-diethyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 106727237
N-[[4-ethyl-2-(2-ethylsulfonylethyl)cyclohexyl]methyl]ethanamine
CID 106735597
1-chloro-4-ethyl-2-(2-propylsulfonylethyl)cyclohexane
CID 106729101
N-[(2-but-3-ynyl-4-ethylcyclohexyl)methyl]cyclopropanamine
CID 81029586
1-[4-ethyl-2-(2-propan-2-ylsulfonylethyl)cyclohexyl]-N-methylmethanamine
CID 106735592
N-methyl-4-propyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 106727245
N-[[4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine
CID 81029583
N-[(2-benzyl-4-ethylcyclohexyl)methyl]cyclopropanamine
CID 81030099
2-(2-propylsulfonylethyl)cyclobutan-1-amine
CID 106735337
N,2-dimethyl-3-(2-propylsulfonylethyl)cyclopentan-1-amine
CID 106732386
N-[[2-(3-ethylsulfonylpropyl)cyclohexyl]methyl]cyclopropanamine
CID 81024849
1-chloro-2-methyl-3-(2-propylsulfonylethyl)cyclopentane
CID 106732576

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(2-propylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-ethyl-2-(2-propylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine (CID 106735608) is N-[[4-ethyl-2-(2-propylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-ethyl-2-(2-propylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-ethyl-2-(2-propylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine is CCCS(=O)(=O)CCC1CC(CC)CCC1CNC1CC1.
What is the InChIKey of N-[[4-ethyl-2-(2-propylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is WEGIQLQUCXYLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2S/c1-3-10-21(19,20)11-9-15-12-14(4-2)5-6-16(15)13-18-17-7-8-17/h14-18H,3-13H2,1-2H3.
What are the key properties of N-[[4-ethyl-2-(2-propylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine?
N-[[4-ethyl-2-(2-propylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 315.52 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(2-propylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 106735608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).