4-ethyl-2-(4-propan-2-ylphenyl)sulfonylcyclohexan-1-amine

C17H27NO2S — CID 64639594

IUPAC4-ethyl-2-(4-propan-2-ylphenyl)sulfonylcyclohexan-1-amine
SMILESCCC1CCC(N)C(S(=O)(=O)c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C17H27NO2S/c1-4-13-5-10-16(18)17(11-13)21(19,20)15-8-6-14(7-9-15)12(2)3/h6-9,12-13,16-17H,4-5,10-11,18H2,1-3H3
InChIKeyPVADVGPAAGCXDD-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.49
Rot. Bonds4

About 4-ethyl-2-(4-propan-2-ylphenyl)sulfonylcyclohexan-1-amine

4-ethyl-2-(4-propan-2-ylphenyl)sulfonylcyclohexan-1-amine (PubChem CID 64639594) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is 4-ethyl-2-(4-propan-2-ylphenyl)sulfonylcyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-(4-propan-2-ylphenyl)sulfonylcyclohexan-1-amine
PubChem CID64639594
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC Name4-ethyl-2-(4-propan-2-ylphenyl)sulfonylcyclohexan-1-amine
SMILESCCC1CCC(N)C(S(=O)(=O)c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C17H27NO2S/c1-4-13-5-10-16(18)17(11-13)21(19,20)15-8-6-14(7-9-15)12(2)3/h6-9,12-13,16-17H,4-5,10-11,18H2,1-3H3
InChIKeyPVADVGPAAGCXDD-UHFFFAOYSA-N
XLogP3.49
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfonyl)-4-propylcyclohexan-1-amine
CID 62918050
2-(2,5-difluorophenyl)sulfonyl-4-ethylcyclohexan-1-amine
CID 64645336
2-(4-chlorophenyl)sulfonyl-4-ethylcyclohexane-1-carbonitrile
CID 64689729
4-ethyl-2-(4-methylphenyl)sulfonylcyclohexane-1-carbonitrile
CID 64689734
4-[1-[(3-ethylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64502296
2-(benzenesulfonyl)-4-ethyl-N-methylcyclohexan-1-amine
CID 62917554
2-(3-chlorophenyl)sulfonyl-4-propan-2-ylcyclohexan-1-amine
CID 64675224
[(3-ethylcyclopentyl)-(4-propan-2-ylphenyl)methyl]hydrazine
CID 105233695
N-methyl-2-(4-propan-2-ylphenyl)sulfonylcyclopentan-1-amine
CID 64639192
2-(4-fluorophenyl)sulfonylcyclobutan-1-amine
CID 134203404
1-(4-propan-2-ylphenyl)sulfonylazetidin-3-amine
CID 65244701
1-(3-ethylcyclopentyl)-2-(4-propan-2-ylphenyl)ethanone
CID 65409288

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-propan-2-ylphenyl)sulfonylcyclohexan-1-amine?
The IUPAC name of 4-ethyl-2-(4-propan-2-ylphenyl)sulfonylcyclohexan-1-amine (CID 64639594) is 4-ethyl-2-(4-propan-2-ylphenyl)sulfonylcyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-2-(4-propan-2-ylphenyl)sulfonylcyclohexan-1-amine?
The canonical SMILES for 4-ethyl-2-(4-propan-2-ylphenyl)sulfonylcyclohexan-1-amine is CCC1CCC(N)C(S(=O)(=O)c2ccc(C(C)C)cc2)C1.
What is the InChIKey of 4-ethyl-2-(4-propan-2-ylphenyl)sulfonylcyclohexan-1-amine?
The InChIKey is PVADVGPAAGCXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-4-13-5-10-16(18)17(11-13)21(19,20)15-8-6-14(7-9-15)12(2)3/h6-9,12-13,16-17H,4-5,10-11,18H2,1-3H3.
What are the key properties of 4-ethyl-2-(4-propan-2-ylphenyl)sulfonylcyclohexan-1-amine?
4-ethyl-2-(4-propan-2-ylphenyl)sulfonylcyclohexan-1-amine has a molecular weight of 309.48 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-propan-2-ylphenyl)sulfonylcyclohexan-1-amine is sourced from PubChem (CID 64639594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).