2-(4-tert-butylphenyl)sulfinyl-1-cyclopentylethanamine

C17H27NOS — CID 104754574

IUPAC2-(4-tert-butylphenyl)sulfinyl-1-cyclopentylethanamine
SMILESCC(C)(C)c1ccc(S(=O)CC(N)C2CCCC2)cc1
InChIInChI=1S/C17H27NOS/c1-17(2,3)14-8-10-15(11-9-14)20(19)12-16(18)13-6-4-5-7-13/h8-11,13,16H,4-7,12,18H2,1-3H3
InChIKeyBVTDEDFIVIXLEV-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.61
Rot. Bonds4

About 2-(4-tert-butylphenyl)sulfinyl-1-cyclopentylethanamine

2-(4-tert-butylphenyl)sulfinyl-1-cyclopentylethanamine (PubChem CID 104754574) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)sulfinyl-1-cyclopentylethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)sulfinyl-1-cyclopentylethanamine
PubChem CID104754574
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name2-(4-tert-butylphenyl)sulfinyl-1-cyclopentylethanamine
SMILESCC(C)(C)c1ccc(S(=O)CC(N)C2CCCC2)cc1
InChIInChI=1S/C17H27NOS/c1-17(2,3)14-8-10-15(11-9-14)20(19)12-16(18)13-6-4-5-7-13/h8-11,13,16H,4-7,12,18H2,1-3H3
InChIKeyBVTDEDFIVIXLEV-UHFFFAOYSA-N
XLogP3.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-2-(4-methylphenyl)sulfinylethanamine
CID 104754397
2-(4-tert-butylphenyl)-1-cyclohexylethanamine
CID 63411930
1-cyclopropyl-2-(3,4-dimethylphenyl)sulfinylethanamine
CID 64659864
2-(3-bromophenyl)sulfinyl-1-cyclohexylethanamine
CID 113449368
2-(2-bromophenyl)sulfinyl-1-cyclohexylethanamine
CID 113449406
1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)ethanamine
CID 115479181
[2-(4-tert-butylphenyl)sulfinylcyclohexyl]methanamine
CID 81328026
1-cyclohexyl-2-(2,5-difluorophenyl)sulfinylethanamine
CID 104754679
3-(4-tert-butylphenyl)-2-cyclopentylpropan-1-amine
CID 112569630
2-(4-bromophenyl)sulfinyl-1-cyclohexyl-N-ethylethanamine
CID 104754578
3-(4-tert-butylphenyl)-1-cyclopropylpropan-1-amine
CID 55202631
(1R,2S)-2-amino-2-(4-tert-butylphenyl)-1-cyclopentylethanol
CID 171162507

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)sulfinyl-1-cyclopentylethanamine?
The IUPAC name of 2-(4-tert-butylphenyl)sulfinyl-1-cyclopentylethanamine (CID 104754574) is 2-(4-tert-butylphenyl)sulfinyl-1-cyclopentylethanamine.
What is the SMILES notation for 2-(4-tert-butylphenyl)sulfinyl-1-cyclopentylethanamine?
The canonical SMILES for 2-(4-tert-butylphenyl)sulfinyl-1-cyclopentylethanamine is CC(C)(C)c1ccc(S(=O)CC(N)C2CCCC2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)sulfinyl-1-cyclopentylethanamine?
The InChIKey is BVTDEDFIVIXLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-17(2,3)14-8-10-15(11-9-14)20(19)12-16(18)13-6-4-5-7-13/h8-11,13,16H,4-7,12,18H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)sulfinyl-1-cyclopentylethanamine?
2-(4-tert-butylphenyl)sulfinyl-1-cyclopentylethanamine has a molecular weight of 293.48 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)sulfinyl-1-cyclopentylethanamine is sourced from PubChem (CID 104754574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).