N-ethyl-1-(1-methylcyclohexyl)-4-methylsulfonylbutan-1-amine

C14H29NO2S — CID 106829882

IUPACN-ethyl-1-(1-methylcyclohexyl)-4-methylsulfonylbutan-1-amine
SMILESCCNC(CCCS(C)(=O)=O)C1(C)CCCCC1
InChIInChI=1S/C14H29NO2S/c1-4-15-13(9-8-12-18(3,16)17)14(2)10-6-5-7-11-14/h13,15H,4-12H2,1-3H3
InChIKeyLURNABSILVJBSJ-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.76
Rot. Bonds7

About N-ethyl-1-(1-methylcyclohexyl)-4-methylsulfonylbutan-1-amine

N-ethyl-1-(1-methylcyclohexyl)-4-methylsulfonylbutan-1-amine (PubChem CID 106829882) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is N-ethyl-1-(1-methylcyclohexyl)-4-methylsulfonylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methylcyclohexyl)-4-methylsulfonylbutan-1-amine
PubChem CID106829882
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC NameN-ethyl-1-(1-methylcyclohexyl)-4-methylsulfonylbutan-1-amine
SMILESCCNC(CCCS(C)(=O)=O)C1(C)CCCCC1
InChIInChI=1S/C14H29NO2S/c1-4-15-13(9-8-12-18(3,16)17)14(2)10-6-5-7-11-14/h13,15H,4-12H2,1-3H3
InChIKeyLURNABSILVJBSJ-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methylcyclohexyl)-4-methylsulfonylbutan-1-amine?
The IUPAC name of N-ethyl-1-(1-methylcyclohexyl)-4-methylsulfonylbutan-1-amine (CID 106829882) is N-ethyl-1-(1-methylcyclohexyl)-4-methylsulfonylbutan-1-amine.
What is the SMILES notation for N-ethyl-1-(1-methylcyclohexyl)-4-methylsulfonylbutan-1-amine?
The canonical SMILES for N-ethyl-1-(1-methylcyclohexyl)-4-methylsulfonylbutan-1-amine is CCNC(CCCS(C)(=O)=O)C1(C)CCCCC1.
What is the InChIKey of N-ethyl-1-(1-methylcyclohexyl)-4-methylsulfonylbutan-1-amine?
The InChIKey is LURNABSILVJBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-4-15-13(9-8-12-18(3,16)17)14(2)10-6-5-7-11-14/h13,15H,4-12H2,1-3H3.
What are the key properties of N-ethyl-1-(1-methylcyclohexyl)-4-methylsulfonylbutan-1-amine?
N-ethyl-1-(1-methylcyclohexyl)-4-methylsulfonylbutan-1-amine has a molecular weight of 275.46 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methylcyclohexyl)-4-methylsulfonylbutan-1-amine is sourced from PubChem (CID 106829882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).