[2-ethylsulfonyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine

C14H29NO2S — CID 64696759

IUPAC[2-ethylsulfonyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)C(S(=O)(=O)CC)C1
InChIInChI=1S/C14H29NO2S/c1-5-14(3,4)12-8-7-11(10-15)13(9-12)18(16,17)6-2/h11-13H,5-10,15H2,1-4H3
InChIKeyCQRIAEJWMYDVAY-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.60
Rot. Bonds5

About [2-ethylsulfonyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine

[2-ethylsulfonyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine (PubChem CID 64696759) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is [2-ethylsulfonyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-ethylsulfonyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
PubChem CID64696759
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name[2-ethylsulfonyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)C(S(=O)(=O)CC)C1
InChIInChI=1S/C14H29NO2S/c1-5-14(3,4)12-8-7-11(10-15)13(9-12)18(16,17)6-2/h11-13H,5-10,15H2,1-4H3
InChIKeyCQRIAEJWMYDVAY-UHFFFAOYSA-N
XLogP2.60
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

[4-(2-methylbutan-2-yl)-2-methylsulfonylcyclohexyl]methanamine
CID 64698061
[4-(2-methylbutan-2-yl)-2-pentylsulfonylcyclohexyl]methanamine
CID 107766701
(4-tert-butyl-2-propylsulfonylcyclohexyl)methanamine
CID 64698832
[(1S,2S)-2-ethylsulfonylcyclopropyl]methanamine
CID 99990768
[2-tert-butylsulfanyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
CID 43530062
2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43293648
[4-(2-methylbutan-2-yl)-2-propan-2-ylsulfinylcyclohexyl]methanamine
CID 81329173
2-(aminomethyl)-N-(cyclopropylmethyl)-N-methyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 54883914
[2-butoxy-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
CID 43294253
(2-butylsulfonyl-4-methylcyclohexyl)methanamine
CID 64697630
2-(aminomethyl)-N-butan-2-yl-N-ethyl-5-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43293755
N-ethyl-4-(2-methylbutan-2-yl)-2-propan-2-ylsulfonylcyclohexan-1-amine
CID 64674025

Frequently Asked Questions

What is the IUPAC name of [2-ethylsulfonyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine?
The IUPAC name of [2-ethylsulfonyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine (CID 64696759) is [2-ethylsulfonyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine.
What is the SMILES notation for [2-ethylsulfonyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine?
The canonical SMILES for [2-ethylsulfonyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine is CCC(C)(C)C1CCC(CN)C(S(=O)(=O)CC)C1.
What is the InChIKey of [2-ethylsulfonyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine?
The InChIKey is CQRIAEJWMYDVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-5-14(3,4)12-8-7-11(10-15)13(9-12)18(16,17)6-2/h11-13H,5-10,15H2,1-4H3.
What are the key properties of [2-ethylsulfonyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine?
[2-ethylsulfonyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine has a molecular weight of 275.46 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethylsulfonyl-4-(2-methylbutan-2-yl)cyclohexyl]methanamine is sourced from PubChem (CID 64696759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).