N-[1-(2-ethylcyclohexyl)-2-methylsulfonylethyl]propan-1-amine

C14H29NO2S — CID 112690220

IUPACN-[1-(2-ethylcyclohexyl)-2-methylsulfonylethyl]propan-1-amine
SMILESCCCNC(CS(C)(=O)=O)C1CCCCC1CC
InChIInChI=1S/C14H29NO2S/c1-4-10-15-14(11-18(3,16)17)13-9-7-6-8-12(13)5-2/h12-15H,4-11H2,1-3H3
InChIKeyYAPZRRMXNFSINH-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.62
Rot. Bonds7

About N-[1-(2-ethylcyclohexyl)-2-methylsulfonylethyl]propan-1-amine

N-[1-(2-ethylcyclohexyl)-2-methylsulfonylethyl]propan-1-amine (PubChem CID 112690220) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is N-[1-(2-ethylcyclohexyl)-2-methylsulfonylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-ethylcyclohexyl)-2-methylsulfonylethyl]propan-1-amine
PubChem CID112690220
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC NameN-[1-(2-ethylcyclohexyl)-2-methylsulfonylethyl]propan-1-amine
SMILESCCCNC(CS(C)(=O)=O)C1CCCCC1CC
InChIInChI=1S/C14H29NO2S/c1-4-10-15-14(11-18(3,16)17)13-9-7-6-8-12(13)5-2/h12-15H,4-11H2,1-3H3
InChIKeyYAPZRRMXNFSINH-UHFFFAOYSA-N
XLogP2.62
TPSA46.17 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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylcyclohexyl)-2-methylsulfonylethyl]propan-1-amine?
The IUPAC name of N-[1-(2-ethylcyclohexyl)-2-methylsulfonylethyl]propan-1-amine (CID 112690220) is N-[1-(2-ethylcyclohexyl)-2-methylsulfonylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-ethylcyclohexyl)-2-methylsulfonylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-ethylcyclohexyl)-2-methylsulfonylethyl]propan-1-amine is CCCNC(CS(C)(=O)=O)C1CCCCC1CC.
What is the InChIKey of N-[1-(2-ethylcyclohexyl)-2-methylsulfonylethyl]propan-1-amine?
The InChIKey is YAPZRRMXNFSINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-4-10-15-14(11-18(3,16)17)13-9-7-6-8-12(13)5-2/h12-15H,4-11H2,1-3H3.
What are the key properties of N-[1-(2-ethylcyclohexyl)-2-methylsulfonylethyl]propan-1-amine?
N-[1-(2-ethylcyclohexyl)-2-methylsulfonylethyl]propan-1-amine has a molecular weight of 275.46 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylcyclohexyl)-2-methylsulfonylethyl]propan-1-amine is sourced from PubChem (CID 112690220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).