2-cyclohexyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-amine

C17H33NO2S — CID 65098207

IUPAC2-cyclohexyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-amine
SMILESCCS(=O)(=O)CCCC1(N)CCCCC1C1CCCCC1
InChIInChI=1S/C17H33NO2S/c1-2-21(19,20)14-8-13-17(18)12-7-6-11-16(17)15-9-4-3-5-10-15/h15-16H,2-14,18H2,1H3
InChIKeyQUGDEUQVYMGJHU-UHFFFAOYSA-N
MW315.52 g/mol
LogP3.67
Rot. Bonds6

About 2-cyclohexyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-amine

2-cyclohexyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-amine (PubChem CID 65098207) has the molecular formula C17H33NO2S and a molecular weight of 315.52 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-amine
PubChem CID65098207
Molecular FormulaC17H33NO2S
Molecular Weight315.52 g/mol
Exact Mass315.22
IUPAC Name2-cyclohexyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-amine
SMILESCCS(=O)(=O)CCCC1(N)CCCCC1C1CCCCC1
InChIInChI=1S/C17H33NO2S/c1-2-21(19,20)14-8-13-17(18)12-7-6-11-16(17)15-9-4-3-5-10-15/h15-16H,2-14,18H2,1H3
InChIKeyQUGDEUQVYMGJHU-UHFFFAOYSA-N
XLogP3.67
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.52
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-amine?
The IUPAC name of 2-cyclohexyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-amine (CID 65098207) is 2-cyclohexyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 2-cyclohexyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-amine?
The canonical SMILES for 2-cyclohexyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-amine is CCS(=O)(=O)CCCC1(N)CCCCC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-amine?
The InChIKey is QUGDEUQVYMGJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2S/c1-2-21(19,20)14-8-13-17(18)12-7-6-11-16(17)15-9-4-3-5-10-15/h15-16H,2-14,18H2,1H3.
What are the key properties of 2-cyclohexyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-amine?
2-cyclohexyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-amine has a molecular weight of 315.52 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 65098207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).