[4-ethyl-2-(2-methylbutylsulfonyl)cyclohexyl]methanamine

C14H29NO2S — CID 107767159

IUPAC[4-ethyl-2-(2-methylbutylsulfonyl)cyclohexyl]methanamine
SMILESCCC(C)CS(=O)(=O)C1CC(CC)CCC1CN
InChIInChI=1S/C14H29NO2S/c1-4-11(3)10-18(16,17)14-8-12(5-2)6-7-13(14)9-15/h11-14H,4-10,15H2,1-3H3
InChIKeyVCTPEMNYIDBEGO-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.60
Rot. Bonds6

About [4-ethyl-2-(2-methylbutylsulfonyl)cyclohexyl]methanamine

[4-ethyl-2-(2-methylbutylsulfonyl)cyclohexyl]methanamine (PubChem CID 107767159) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is [4-ethyl-2-(2-methylbutylsulfonyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-(2-methylbutylsulfonyl)cyclohexyl]methanamine
PubChem CID107767159
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name[4-ethyl-2-(2-methylbutylsulfonyl)cyclohexyl]methanamine
SMILESCCC(C)CS(=O)(=O)C1CC(CC)CCC1CN
InChIInChI=1S/C14H29NO2S/c1-4-11(3)10-18(16,17)14-8-12(5-2)6-7-13(14)9-15/h11-14H,4-10,15H2,1-3H3
InChIKeyVCTPEMNYIDBEGO-UHFFFAOYSA-N
XLogP2.60
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-(2-methylbutylsulfonyl)cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-2-(2-methylbutylsulfonyl)cyclohexyl]methanamine (CID 107767159) is [4-ethyl-2-(2-methylbutylsulfonyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-2-(2-methylbutylsulfonyl)cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-2-(2-methylbutylsulfonyl)cyclohexyl]methanamine is CCC(C)CS(=O)(=O)C1CC(CC)CCC1CN.
What is the InChIKey of [4-ethyl-2-(2-methylbutylsulfonyl)cyclohexyl]methanamine?
The InChIKey is VCTPEMNYIDBEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-4-11(3)10-18(16,17)14-8-12(5-2)6-7-13(14)9-15/h11-14H,4-10,15H2,1-3H3.
What are the key properties of [4-ethyl-2-(2-methylbutylsulfonyl)cyclohexyl]methanamine?
[4-ethyl-2-(2-methylbutylsulfonyl)cyclohexyl]methanamine has a molecular weight of 275.46 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-(2-methylbutylsulfonyl)cyclohexyl]methanamine is sourced from PubChem (CID 107767159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).