4-(2-methylpentan-2-yl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine

C15H31NO2S — CID 167126838

IUPAC4-(2-methylpentan-2-yl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine
SMILESCCCC(C)(C)C1CCC(NCCS(C)(=O)=O)CC1
InChIInChI=1S/C15H31NO2S/c1-5-10-15(2,3)13-6-8-14(9-7-13)16-11-12-19(4,17)18/h13-14,16H,5-12H2,1-4H3
InChIKeyUUIGHXRFQMISSL-UHFFFAOYSA-N
MW289.49 g/mol
LogP3.01
Rot. Bonds7

About 4-(2-methylpentan-2-yl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine

4-(2-methylpentan-2-yl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine (PubChem CID 167126838) has the molecular formula C15H31NO2S and a molecular weight of 289.49 g/mol. Its IUPAC name is 4-(2-methylpentan-2-yl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methylpentan-2-yl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine
PubChem CID167126838
Molecular FormulaC15H31NO2S
Molecular Weight289.49 g/mol
Exact Mass289.21
IUPAC Name4-(2-methylpentan-2-yl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine
SMILESCCCC(C)(C)C1CCC(NCCS(C)(=O)=O)CC1
InChIInChI=1S/C15H31NO2S/c1-5-10-15(2,3)13-6-8-14(9-7-13)16-11-12-19(4,17)18/h13-14,16H,5-12H2,1-4H3
InChIKeyUUIGHXRFQMISSL-UHFFFAOYSA-N
XLogP3.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpentan-2-yl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine?
The IUPAC name of 4-(2-methylpentan-2-yl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine (CID 167126838) is 4-(2-methylpentan-2-yl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(2-methylpentan-2-yl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine?
The canonical SMILES for 4-(2-methylpentan-2-yl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine is CCCC(C)(C)C1CCC(NCCS(C)(=O)=O)CC1.
What is the InChIKey of 4-(2-methylpentan-2-yl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine?
The InChIKey is UUIGHXRFQMISSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-5-10-15(2,3)13-6-8-14(9-7-13)16-11-12-19(4,17)18/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 4-(2-methylpentan-2-yl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine?
4-(2-methylpentan-2-yl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine has a molecular weight of 289.49 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpentan-2-yl)-N-(2-methylsulfonylethyl)cyclohexan-1-amine is sourced from PubChem (CID 167126838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).