2-(3-ethylsulfonylpropyl)-4-propylcyclohexan-1-amine

C14H29NO2S — CID 65097775

IUPAC2-(3-ethylsulfonylpropyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(CCCS(=O)(=O)CC)C1
InChIInChI=1S/C14H29NO2S/c1-3-6-12-8-9-14(15)13(11-12)7-5-10-18(16,17)4-2/h12-14H,3-11,15H2,1-2H3
InChIKeyTZLQGKGGKSNDDB-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.74
Rot. Bonds7

About 2-(3-ethylsulfonylpropyl)-4-propylcyclohexan-1-amine

2-(3-ethylsulfonylpropyl)-4-propylcyclohexan-1-amine (PubChem CID 65097775) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is 2-(3-ethylsulfonylpropyl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-ethylsulfonylpropyl)-4-propylcyclohexan-1-amine
PubChem CID65097775
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name2-(3-ethylsulfonylpropyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(CCCS(=O)(=O)CC)C1
InChIInChI=1S/C14H29NO2S/c1-3-6-12-8-9-14(15)13(11-12)7-5-10-18(16,17)4-2/h12-14H,3-11,15H2,1-2H3
InChIKeyTZLQGKGGKSNDDB-UHFFFAOYSA-N
XLogP2.74
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonylpropyl)-4-propylcyclohexan-1-amine?
The IUPAC name of 2-(3-ethylsulfonylpropyl)-4-propylcyclohexan-1-amine (CID 65097775) is 2-(3-ethylsulfonylpropyl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-ethylsulfonylpropyl)-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-(3-ethylsulfonylpropyl)-4-propylcyclohexan-1-amine is CCCC1CCC(N)C(CCCS(=O)(=O)CC)C1.
What is the InChIKey of 2-(3-ethylsulfonylpropyl)-4-propylcyclohexan-1-amine?
The InChIKey is TZLQGKGGKSNDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-3-6-12-8-9-14(15)13(11-12)7-5-10-18(16,17)4-2/h12-14H,3-11,15H2,1-2H3.
What are the key properties of 2-(3-ethylsulfonylpropyl)-4-propylcyclohexan-1-amine?
2-(3-ethylsulfonylpropyl)-4-propylcyclohexan-1-amine has a molecular weight of 275.46 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonylpropyl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 65097775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).